 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer04_STD_wB97XD_augccpVDZ.in
 Output=26_junionone_conformer04_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-37445.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     37446.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer04_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:12:17 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer04_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.563436000000     -0.729672000000      1.520857000000
  C                                                 2.064169000000     -0.295175000000      0.147987000000
  C                                                 0.913913000000      0.297997000000     -0.759656000000
  C                                                -0.457172000000     -0.234905000000     -0.607701000000
  C                                                -1.526747000000      0.432256000000     -0.171814000000
  C                                                -2.854030000000     -0.220333000000     -0.046417000000
  O                                                -3.035071000000     -1.392293000000     -0.312062000000
  C                                                 2.915069000000     -1.378214000000     -0.489725000000
  C                                                 2.663856000000      1.139073000000      0.184553000000
  C                                                 1.305201000000      1.711207000000     -0.281468000000
  C                                                -3.981142000000      0.663387000000      0.438466000000
  H                                                 3.441327000000      1.268677000000     -0.569534000000
  H                                                 3.047149000000      1.480572000000      1.146370000000
  H                                                 1.223447000000      0.160284000000     -1.801272000000
  H                                                 0.696371000000      2.043708000000      0.558807000000
  H                                                 1.320400000000      2.500522000000     -1.031469000000
  H                                                 0.975282000000     -1.647267000000      1.457061000000
  H                                                 0.935555000000      0.032688000000      1.984412000000
  H                                                 2.410704000000     -0.916728000000      2.184750000000
  H                                                 3.285809000000     -1.064848000000     -1.467813000000
  H                                                 2.342708000000     -2.299836000000     -0.624139000000
  H                                                 3.778609000000     -1.614247000000      0.137775000000
  H                                                -0.605465000000     -1.280098000000     -0.869451000000
  H                                                -1.457335000000      1.479231000000      0.100875000000
  H                                                -4.108725000000      1.513428000000     -0.237285000000
  H                                                -3.738662000000      1.073953000000      1.422477000000
  H                                                -4.905923000000      0.094576000000      0.494443000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:12:17 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.563436   -0.729672    1.520857
      2          6           0        2.064169   -0.295175    0.147987
      3          6           0        0.913913    0.297997   -0.759656
      4          6           0       -0.457172   -0.234905   -0.607701
      5          6           0       -1.526747    0.432256   -0.171814
      6          6           0       -2.854030   -0.220333   -0.046417
      7          8           0       -3.035071   -1.392293   -0.312062
      8          6           0        2.915069   -1.378214   -0.489725
      9          6           0        2.663856    1.139073    0.184553
     10          6           0        1.305201    1.711207   -0.281468
     11          6           0       -3.981142    0.663387    0.438466
     12          1           0        3.441327    1.268677   -0.569534
     13          1           0        3.047149    1.480572    1.146370
     14          1           0        1.223447    0.160284   -1.801272
     15          1           0        0.696371    2.043708    0.558807
     16          1           0        1.320400    2.500522   -1.031469
     17          1           0        0.975282   -1.647267    1.457061
     18          1           0        0.935555    0.032688    1.984412
     19          1           0        2.410704   -0.916728    2.184750
     20          1           0        3.285809   -1.064848   -1.467813
     21          1           0        2.342708   -2.299836   -0.624139
     22          1           0        3.778609   -1.614247    0.137775
     23          1           0       -0.605465   -1.280098   -0.869451
     24          1           0       -1.457335    1.479231    0.100875
     25          1           0       -4.108725    1.513428   -0.237285
     26          1           0       -3.738662    1.073953    1.422477
     27          1           0       -4.905923    0.094576    0.494443
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524563   0.000000
     3  C    2.584323   1.580746   0.000000
     4  C    2.976308   2.632842   1.478834   0.000000
     5  C    3.710046   3.677786   2.514042   1.333826   0.000000
     6  C    4.714847   4.922609   3.869725   2.461743   1.484344
     7  O    4.994489   5.236178   4.318784   2.841217   2.371432
     8  C    2.507979   1.517788   2.624342   3.562735   4.807140
     9  C    2.547320   1.555001   2.158990   3.500900   4.264709
    10  C    3.045152   2.187700   1.542379   2.645702   3.109288
    11  C    5.818464   6.127724   5.052778   3.784146   2.539669
    12  H    3.448131   2.203868   2.714072   4.178578   5.053666
    13  H    2.688275   2.261923   3.095499   4.277837   4.874126
    14  H    3.456032   2.171144   1.095326   2.098873   3.208219
    15  H    3.060879   2.740441   2.198449   2.807753   2.841274
    16  H    4.124026   3.124137   2.256154   3.289666   3.622565
    17  H    1.091776   2.174282   2.949856   2.882695   3.638379
    18  H    1.091014   2.180303   2.756949   2.954716   3.297256
    19  H    1.092523   2.157503   3.519299   4.060465   4.782956
    20  H    3.465698   2.166936   2.825725   3.929186   5.204001
    21  H    2.770142   2.166201   2.967921   3.479014   4.758320
    22  H    2.757241   2.163183   3.559290   4.516654   5.694807
    23  H    3.274244   3.021953   2.193387   1.087627   2.065820
    24  H    4.002582   3.943568   2.785434   2.107289   1.084128
    25  H    6.347911   6.443920   5.193942   4.065429   2.799970
    26  H    5.601338   6.096859   5.197140   4.074667   2.801090
    27  H    6.601933   6.989572   5.956898   4.595070   3.460745
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215250   0.000000
     8  C    5.900823   5.952808   0.000000
     9  C    5.687565   6.255574   2.618109   0.000000
    10  C    4.591873   5.335786   3.489924   1.546110   0.000000
    11  C    1.512103   2.384148   7.251717   6.666839   5.437063
    12  H    6.490171   7.006482   2.699879   1.090828   2.200420
    13  H    6.256176   6.882861   3.296500   1.090242   2.264133
    14  H    4.455357   4.771081   2.636042   2.641270   2.172982
    15  H    4.254119   5.146666   4.210889   2.197596   1.089630
    16  H    5.079296   5.885719   4.228599   2.266523   1.088922
    17  H    4.354333   4.390642   2.761365   3.497749   3.796140
    18  H    4.306883   4.803148   3.468497   2.729580   2.843990
    19  H    5.760251   6.009717   2.760466   2.879443   3.769670
    20  H    6.358553   6.434012   1.091926   2.823899   3.610638
    21  H    5.627094   5.462740   1.093184   3.547283   4.157200
    22  H    6.780031   6.832119   1.093238   2.970797   4.165592
    23  H    2.618498   2.495247   3.542313   4.201401   3.597815
    24  H    2.204761   3.302335   5.256588   4.136052   2.798500
    25  H    2.148632   3.098635   7.599934   6.796024   5.417718
    26  H    2.148348   3.096132   7.344506   6.521421   5.361910
    27  H    2.145218   2.522165   8.019078   7.647781   6.464797
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.515017   0.000000
    13  H    7.110963   1.773303   0.000000
    14  H    5.688346   2.768520   3.709130   0.000000
    15  H    4.878411   3.067346   2.487672   3.065138   0.000000
    16  H    5.800183   2.495828   2.960565   2.465504   1.768352
    17  H    5.562625   4.323331   3.764643   3.734376   3.808930
    18  H    5.192460   3.785393   2.693977   3.798758   2.476643
    19  H    6.811899   3.663913   2.688930   4.296266   3.787718
    20  H    7.709038   2.505280   3.656511   2.421875   4.524986
    21  H    7.064057   3.734197   4.233488   2.947979   4.793346
    22  H    8.092698   2.987523   3.336196   3.665749   4.801884
    23  H    4.108890   4.791944   5.002642   2.507570   3.844787
    24  H    2.673793   4.948805   4.624223   3.541804   2.273056
    25  H    1.093383   7.561321   7.288492   5.719188   4.899378
    26  H    1.093453   7.453742   6.803588   5.987476   4.621241
    27  H    1.087152   8.496302   8.099219   6.545518   5.932028
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.849334   0.000000
    18  H    3.915846   1.761229   0.000000
    19  H    4.817720   1.767386   1.765670   0.000000
    20  H    4.094520   3.772616   4.318117   3.758852   0.000000
    21  H    4.924883   2.574314   3.771642   3.131688   1.768169
    22  H    4.933685   3.098427   3.769008   2.558868   1.767089
    23  H    4.245974   2.836588   3.498955   4.307837   3.942890
    24  H    3.168762   4.187106   3.371368   5.004486   5.606294
    25  H    5.574987   6.221570   5.707301   7.367148   7.927221
    26  H    5.800953   5.443115   4.821650   6.508346   7.891225
    27  H    6.847195   6.208802   6.028823   7.577130   8.502893
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764187   0.000000
    23  H    3.129180   4.510683   0.000000
    24  H    5.408079   6.081618   3.046492   0.000000
    25  H    7.504107   8.493118   4.525069   2.673086   0.000000
    26  H    7.249424   8.086176   4.539979   2.667459   1.756387
    27  H    7.715380   8.858238   4.716341   3.736967   1.784402
                   26         27
    26  H    0.000000
    27  H    1.784075   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.563436   -0.729672    1.520857
      2          6           0        2.064169   -0.295175    0.147987
      3          6           0        0.913913    0.297997   -0.759656
      4          6           0       -0.457172   -0.234905   -0.607701
      5          6           0       -1.526747    0.432256   -0.171814
      6          6           0       -2.854030   -0.220333   -0.046417
      7          8           0       -3.035071   -1.392293   -0.312062
      8          6           0        2.915069   -1.378214   -0.489725
      9          6           0        2.663856    1.139073    0.184553
     10          6           0        1.305201    1.711207   -0.281468
     11          6           0       -3.981142    0.663387    0.438466
     12          1           0        3.441327    1.268677   -0.569534
     13          1           0        3.047149    1.480572    1.146370
     14          1           0        1.223447    0.160284   -1.801272
     15          1           0        0.696371    2.043708    0.558807
     16          1           0        1.320400    2.500522   -1.031469
     17          1           0        0.975282   -1.647267    1.457061
     18          1           0        0.935555    0.032688    1.984412
     19          1           0        2.410704   -0.916728    2.184750
     20          1           0        3.285809   -1.064848   -1.467813
     21          1           0        2.342708   -2.299836   -0.624139
     22          1           0        3.778609   -1.614247    0.137775
     23          1           0       -0.605465   -1.280098   -0.869451
     24          1           0       -1.457335    1.479231    0.100875
     25          1           0       -4.108725    1.513428   -0.237285
     26          1           0       -3.738662    1.073953    1.422477
     27          1           0       -4.905923    0.094576    0.494443
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2319954           0.5287193           0.4855268
 Leave Link  202 at Thu Aug 12 22:12:18 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       611.0483324992 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0190782913 Hartrees.
 Nuclear repulsion after empirical dispersion term =      611.0292542079 Hartrees.
 Leave Link  301 at Thu Aug 12 22:12:20 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  3.19D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 22:12:21 2021, MaxMem=  5368709120 cpu:               6.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:12:21 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer04_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:12:23 2021, MaxMem=  5368709120 cpu:               6.3 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.795821944969    
 DIIS: error= 1.39D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.795821944969     IErMin= 1 ErrMin= 1.39D-03
 ErrMax= 1.39D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.60D-03 BMatP= 5.60D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.39D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.345 Goal=   None    Shift=    0.000
 GapD=    0.345 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.17D-02 MaxDP=2.62D+00              OVMax= 1.27D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.84D-02    CP:  1.38D+00
 E= -465.800526226985     Delta-E=       -0.004704282016 Rises=F Damp=F
 DIIS: error= 2.29D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.800526226985     IErMin= 2 ErrMin= 2.29D-04
 ErrMax= 2.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-04 BMatP= 5.60D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.29D-03
 Coeff-Com: -0.450D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.449D-01 0.104D+01
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=3.03D-03 MaxDP=3.97D-01 DE=-4.70D-03 OVMax= 4.89D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.93D-04    CP:  1.43D+00  1.13D+00
 E= -465.800624352669     Delta-E=       -0.000098125684 Rises=F Damp=F
 DIIS: error= 2.60D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.800624352669     IErMin= 2 ErrMin= 2.29D-04
 ErrMax= 2.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.66D-05 BMatP= 1.05D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.60D-03
 Coeff-Com: -0.392D-01 0.534D+00 0.506D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.391D-01 0.532D+00 0.507D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.65D-04 MaxDP=1.79D-02 DE=-9.81D-05 OVMax= 2.52D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.79D-05    CP:  1.44D+00  1.14D+00  1.05D+00
 E= -465.800695013326     Delta-E=       -0.000070660657 Rises=F Damp=F
 DIIS: error= 6.39D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.800695013326     IErMin= 4 ErrMin= 6.39D-05
 ErrMax= 6.39D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.85D-06 BMatP= 9.66D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.443D-02-0.290D-02 0.180D+00 0.827D+00
 Coeff:     -0.443D-02-0.290D-02 0.180D+00 0.827D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=9.98D-05 MaxDP=1.14D-02 DE=-7.07D-05 OVMax= 8.37D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.92D-05    CP:  1.44D+00  1.14D+00  1.12D+00  1.35D+00
 E= -465.800700701307     Delta-E=       -0.000005687980 Rises=F Damp=F
 DIIS: error= 2.28D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.800700701307     IErMin= 5 ErrMin= 2.28D-05
 ErrMax= 2.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.88D-07 BMatP= 5.85D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-02-0.567D-01 0.236D-01 0.341D+00 0.691D+00
 Coeff:      0.195D-02-0.567D-01 0.236D-01 0.341D+00 0.691D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=2.27D-05 MaxDP=2.11D-03 DE=-5.69D-06 OVMax= 2.80D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.48D-05    CP:  1.44D+00  1.14D+00  1.14D+00  1.41D+00  1.12D+00
 E= -465.800701493762     Delta-E=       -0.000000792455 Rises=F Damp=F
 DIIS: error= 7.59D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.800701493762     IErMin= 6 ErrMin= 7.59D-06
 ErrMax= 7.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.57D-08 BMatP= 6.88D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-02-0.178D-01-0.801D-02 0.317D-01 0.218D+00 0.775D+00
 Coeff:      0.113D-02-0.178D-01-0.801D-02 0.317D-01 0.218D+00 0.775D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=7.74D-06 MaxDP=8.88D-04 DE=-7.92D-07 OVMax= 1.65D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.40D-06    CP:  1.44D+00  1.14D+00  1.14D+00  1.46D+00  1.16D+00
                    CP:  1.06D+00
 E= -465.800701568406     Delta-E=       -0.000000074645 Rises=F Damp=F
 DIIS: error= 2.36D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.800701568406     IErMin= 7 ErrMin= 2.36D-06
 ErrMax= 2.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.19D-09 BMatP= 4.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.131D-03 0.566D-03-0.380D-02-0.267D-01-0.112D-01 0.259D+00
 Coeff-Com:  0.782D+00
 Coeff:      0.131D-03 0.566D-03-0.380D-02-0.267D-01-0.112D-01 0.259D+00
 Coeff:      0.782D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=3.14D-06 MaxDP=3.75D-04 DE=-7.46D-08 OVMax= 5.05D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.68D-06    CP:  1.44D+00  1.14D+00  1.14D+00  1.46D+00  1.18D+00
                    CP:  1.12D+00  1.10D+00
 E= -465.800701579999     Delta-E=       -0.000000011593 Rises=F Damp=F
 DIIS: error= 9.06D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.800701579999     IErMin= 8 ErrMin= 9.06D-07
 ErrMax= 9.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.91D-10 BMatP= 7.19D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.115D-03 0.256D-02 0.252D-03-0.138D-01-0.384D-01-0.326D-01
 Coeff-Com:  0.232D+00 0.850D+00
 Coeff:     -0.115D-03 0.256D-02 0.252D-03-0.138D-01-0.384D-01-0.326D-01
 Coeff:      0.232D+00 0.850D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=1.03D-06 MaxDP=1.19D-04 DE=-1.16D-08 OVMax= 3.21D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.75D-07    CP:  1.44D+00  1.14D+00  1.14D+00  1.46D+00  1.18D+00
                    CP:  1.13D+00  1.17D+00  1.11D+00
 E= -465.800701581812     Delta-E=       -0.000000001813 Rises=F Damp=F
 DIIS: error= 2.57D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.800701581812     IErMin= 9 ErrMin= 2.57D-07
 ErrMax= 2.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-10 BMatP= 7.91D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.480D-04 0.818D-03 0.464D-03-0.236D-02-0.120D-01-0.312D-01
 Coeff-Com:  0.142D-02 0.305D+00 0.738D+00
 Coeff:     -0.480D-04 0.818D-03 0.464D-03-0.236D-02-0.120D-01-0.312D-01
 Coeff:      0.142D-02 0.305D+00 0.738D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=2.95D-07 MaxDP=2.59D-05 DE=-1.81D-09 OVMax= 6.09D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.34D-07    CP:  1.44D+00  1.14D+00  1.14D+00  1.46D+00  1.18D+00
                    CP:  1.13D+00  1.18D+00  1.16D+00  1.02D+00
 E= -465.800701581911     Delta-E=       -0.000000000099 Rises=F Damp=F
 DIIS: error= 9.91D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.800701581911     IErMin=10 ErrMin= 9.91D-08
 ErrMax= 9.91D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.27D-12 BMatP= 1.03D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.401D-05-0.182D-03 0.127D-03 0.158D-02 0.283D-02-0.282D-02
 Coeff-Com: -0.433D-01-0.305D-01 0.181D+00 0.892D+00
 Coeff:      0.401D-05-0.182D-03 0.127D-03 0.158D-02 0.283D-02-0.282D-02
 Coeff:     -0.433D-01-0.305D-01 0.181D+00 0.892D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=1.98D-07 MaxDP=2.50D-05 DE=-9.91D-11 OVMax= 3.67D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.74D-08    CP:  1.44D+00  1.14D+00  1.14D+00  1.46D+00  1.18D+00
                    CP:  1.12D+00  1.18D+00  1.17D+00  1.07D+00  1.27D+00
 E= -465.800701581990     Delta-E=       -0.000000000079 Rises=F Damp=F
 DIIS: error= 2.74D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.800701581990     IErMin=11 ErrMin= 2.74D-08
 ErrMax= 2.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-12 BMatP= 9.27D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.556D-05-0.120D-03-0.117D-04 0.528D-03 0.172D-02 0.279D-02
 Coeff-Com: -0.117D-01-0.288D-01-0.442D-01 0.191D+00 0.888D+00
 Coeff:      0.556D-05-0.120D-03-0.117D-04 0.528D-03 0.172D-02 0.279D-02
 Coeff:     -0.117D-01-0.288D-01-0.442D-01 0.191D+00 0.888D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=4.65D-08 MaxDP=4.60D-06 DE=-7.87D-11 OVMax= 8.52D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.21D-08    CP:  1.44D+00  1.14D+00  1.14D+00  1.46D+00  1.18D+00
                    CP:  1.12D+00  1.17D+00  1.17D+00  1.07D+00  1.39D+00
                    CP:  1.17D+00
 E= -465.800701582004     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 7.34D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.800701582004     IErMin=12 ErrMin= 7.34D-09
 ErrMax= 7.34D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.27D-14 BMatP= 1.07D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.404D-06-0.204D-07-0.103D-04-0.771D-04-0.151D-04 0.874D-03
 Coeff-Com:  0.155D-02 0.761D-03-0.277D-01-0.517D-01 0.136D+00 0.940D+00
 Coeff:      0.404D-06-0.204D-07-0.103D-04-0.771D-04-0.151D-04 0.874D-03
 Coeff:      0.155D-02 0.761D-03-0.277D-01-0.517D-01 0.136D+00 0.940D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=1.22D-08 MaxDP=1.07D-06 DE=-1.39D-11 OVMax= 2.58D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.23D-09    CP:  1.44D+00  1.14D+00  1.14D+00  1.46D+00  1.18D+00
                    CP:  1.12D+00  1.17D+00  1.16D+00  1.06D+00  1.42D+00
                    CP:  1.23D+00  1.19D+00
 E= -465.800701581966     Delta-E=        0.000000000038 Rises=F Damp=F
 DIIS: error= 2.92D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -465.800701582004     IErMin=13 ErrMin= 2.92D-09
 ErrMax= 2.92D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-14 BMatP= 9.27D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.513D-06 0.138D-04-0.417D-06-0.868D-04-0.205D-03-0.399D-04
 Coeff-Com:  0.164D-02 0.405D-02-0.405D-02-0.367D-01-0.693D-01 0.286D+00
 Coeff-Com:  0.818D+00
 Coeff:     -0.513D-06 0.138D-04-0.417D-06-0.868D-04-0.205D-03-0.399D-04
 Coeff:      0.164D-02 0.405D-02-0.405D-02-0.367D-01-0.693D-01 0.286D+00
 Coeff:      0.818D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=4.94D-09 MaxDP=4.21D-07 DE= 3.75D-11 OVMax= 1.06D-07

 SCF Done:  E(RwB97XD) =  -465.800701582     A.U. after   13 cycles
            NFock= 13  Conv=0.49D-08     -V/T= 2.0063
 KE= 4.628710958933D+02 PE=-2.303574269887D+03 EE= 7.638732182037D+02
 Leave Link  502 at Thu Aug 12 22:22:55 2021, MaxMem=  5368709120 cpu:            5056.3 elap:             632.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.90355910D+02

 Leave Link  801 at Thu Aug 12 22:22:56 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 4.98D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.95D-01 5.38D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 3.96D-02 9.99D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 3.49D-03 1.83D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 2.48D-04 2.99D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 1.47D-05 6.25D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 5.75D-07 1.10D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 2.17D-08 3.01D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 6.26D-10 4.77D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 1.67D-11 7.15D-07.
      8 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 3.69D-13 7.94D-08.
      1 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 7.80D-15 1.00D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.168366D+03
      2 -0.332526D+01  0.120290D+03
      3 -0.557493D+01  0.222879D+01  0.102895D+03
 Isotropic polarizability for W=    0.085645      130.52 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.659143D+02 -0.131657D+02  0.215489D+02
      2   0.154442D+02  0.186662D+02 -0.328330D+02
      3   0.504702D+02 -0.550052D+01  0.112841D+02
      4   0.656002D+01  0.246063D+02 -0.229000D+02
      5   0.303707D+02 -0.245180D+02  0.784347D+02
      6  -0.293187D+01 -0.330378D+01  0.134913D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.536190D+00  0.503596D+01 -0.761778D+01
      2   0.362460D+02 -0.109115D+02  0.308898D+02
      3   0.234441D+02 -0.130609D+02  0.123352D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.161796D+01  0.295292D+02 -0.189918D+02
      2  -0.882174D+01 -0.199681D+02  0.279645D+02
      3   0.197257D+02 -0.916215D+01  0.215861D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.307350D+00 -0.773206D+01 -0.386485D+01
      2  -0.773206D+01  0.907489D+00 -0.210691D+01
      3  -0.386485D+01 -0.210691D+01 -0.327347D+00
 OR G Eigenvalues:    -9.1839     1.5510     8.5204  Iso=    -0.2958
 Eigenvectors:
   (1)   0.668509   0.603076   0.435194
   (2)  -0.207795  -0.410401   0.887915
   (3)   0.714084  -0.684010  -0.149041
 w=    0.085645 a.u., Optical Rotation Beta=     -0.2958 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -92.16 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 1.16D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.78D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.53D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 2.91D-02 5.83D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 3.61D-03 1.87D-02.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 5.26D-05 1.14D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 8.78D-07 1.07D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 1.25D-08 1.46D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 1.14D-10 1.14D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 9.66D-13 9.54D-08.
     12 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 9.48D-15 7.88D-09.
      2 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 9.68D-16 4.13D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   254 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.36D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.36D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.40D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168366D+03 -0.332526D+01 -0.557493D+01
      2  -0.332526D+01  0.120290D+03  0.222879D+01
      3  -0.557493D+01  0.222879D+01  0.102895D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.536190D+00  0.503596D+01 -0.761778D+01
      2   0.362460D+02 -0.109115D+02  0.308898D+02
      3   0.234441D+02 -0.130609D+02  0.123352D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.659143D+02 -0.131657D+02  0.215489D+02
      2   0.154442D+02  0.186662D+02 -0.328330D+02
      3   0.504702D+02 -0.550052D+01  0.112841D+02
      4   0.656002D+01  0.246063D+02 -0.229000D+02
      5   0.303707D+02 -0.245180D+02  0.784347D+02
      6  -0.293187D+01 -0.330378D+01  0.134913D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.330446D+01  0.120309D+01 -0.400478D+01  0.306666D+00  0.367142D+01
      2   0.120309D+01  0.370074D+01  0.225870D+01  0.367142D+01  0.221362D+01
      3  -0.400478D+01  0.225870D+01 -0.354793D+01  0.221328D+01 -0.160314D+01
                 6             7             8             9            10 
      1   0.221328D+01 -0.338226D+01  0.271735D+01 -0.324964D+01  0.223642D+02
      2  -0.160314D+01  0.271735D+01 -0.881506D+00 -0.103626D+01 -0.240151D+01
      3  -0.174291D+01 -0.324964D+01 -0.103626D+01  0.999420D+00  0.363057D+01
                11            12            13            14            15 
      1  -0.240151D+01  0.363057D+01 -0.106851D+02 -0.248283D+01 -0.286635D+01
      2  -0.275327D+01 -0.224561D+01 -0.248283D+01 -0.459252D+01  0.112294D+01
      3  -0.224561D+01  0.358997D+01 -0.286635D+01  0.112294D+01  0.115548D+01
                16            17            18            19            20 
      1   0.140038D+02 -0.322770D+01  0.558270D+01 -0.370569D+02  0.231943D+01
      2  -0.322770D+01  0.213644D+01  0.712124D+00  0.231943D+01 -0.237387D+01
      3   0.558270D+01  0.712124D+00 -0.270126D+01 -0.177984D+00  0.101808D+01
                21            22            23            24            25 
      1  -0.177984D+00  0.911066D+01 -0.217414D+01  0.223983D+01 -0.533887D+01
      2   0.101808D+01 -0.217414D+01 -0.212440D+01 -0.167455D+01  0.219613D+01
      3  -0.300090D+01  0.223983D+01 -0.167455D+01  0.200068D+01 -0.667512D+01
                26            27            28            29            30 
      1   0.219613D+01 -0.667512D+01  0.551151D+02 -0.664089D+00 -0.326370D+01
      2  -0.250029D+01  0.140471D+01 -0.664089D+00  0.185051D+01 -0.719674D+00
      3   0.140471D+01  0.498402D+01 -0.326370D+01 -0.719674D+00  0.250370D+01
                31            32            33            34            35 
      1  -0.134282D+02  0.201239D+01  0.951015D-01 -0.134979D+02 -0.147583D+01
      2   0.201239D+01  0.248268D+01  0.140813D+01 -0.147583D+01  0.891499D+00
      3   0.951015D-01  0.140813D+01 -0.130242D+01  0.653661D+01 -0.216714D+00
                36            37            38            39            40 
      1   0.653661D+01 -0.505672D+02 -0.254912D+01  0.328456D+01  0.131352D+02
      2  -0.216714D+00 -0.254912D+01 -0.110198D+01  0.903943D+00 -0.382543D+01
      3  -0.430071D+01  0.328456D+01  0.903943D+00 -0.174097D+01 -0.696722D+00
                41            42            43            44            45 
      1  -0.382543D+01 -0.696722D+00  0.148855D+02  0.129380D+01 -0.511250D+01
      2  -0.195787D+01 -0.132775D+01  0.129380D+01 -0.131753D+01  0.779254D+00
      3  -0.132775D+01  0.218422D+01 -0.511250D+01  0.779254D+00  0.233649D+01
                46            47            48            49            50 
      1   0.181095D+02  0.300872D+01 -0.154922D+01  0.220559D+02  0.888360D+01
      2   0.300872D+01 -0.795598D-01  0.394778D+00  0.888360D+01  0.597027D+01
      3  -0.154922D+01  0.394778D+00 -0.799570D+00  0.357707D+00  0.285452D+00
                51            52            53            54            55 
      1   0.357707D+00  0.208701D+01  0.221454D+01 -0.787885D+00 -0.642224D+01
      2   0.285452D+00  0.221454D+01  0.101935D+01  0.694597D+00 -0.324009D+01
      3  -0.543741D+00 -0.787885D+00  0.694597D+00  0.689536D+00 -0.410132D+00
                56            57            58            59            60 
      1  -0.324009D+01 -0.410132D+00 -0.240962D+02 -0.100955D+02  0.366836D+00
      2  -0.160763D+01 -0.574226D+00 -0.100955D+02 -0.111687D+02 -0.654142D+00
      3  -0.574226D+00 -0.383601D+00  0.366836D+00 -0.654142D+00 -0.136913D+01
                61            62            63            64            65 
      1  -0.572565D+01 -0.219230D+01 -0.170326D+01 -0.597194D+01  0.187523D+01
      2  -0.219230D+01 -0.107969D+01 -0.283243D+01  0.187523D+01  0.334913D+01
      3  -0.170326D+01 -0.283243D+01 -0.130622D+01 -0.248344D+01  0.276426D+01
                66            67            68            69            70 
      1  -0.248344D+01  0.138018D+01  0.255644D+01  0.296167D+01 -0.451424D+01
      2   0.276426D+01  0.255644D+01  0.342821D+01 -0.214601D+00  0.295905D+01
      3  -0.284170D+01  0.296167D+01 -0.214601D+00 -0.186555D+01 -0.392933D+01
                71            72            73            74            75 
      1   0.295905D+01 -0.392933D+01 -0.223643D+01 -0.247254D+01  0.172394D+01
      2  -0.781573D+00 -0.892521D+00 -0.247254D+01  0.217673D+01 -0.752340D+00
      3  -0.892521D+00  0.423961D+01  0.172394D+01 -0.752340D+00 -0.277205D+01
                76            77            78            79            80 
      1  -0.338781D+01  0.252544D+01 -0.169130D+01 -0.316942D+00 -0.130234D+01
      2   0.252544D+01  0.612014D+01 -0.364967D+00 -0.130234D+01 -0.889866D+00
      3  -0.169130D+01 -0.364967D+00 -0.158983D+01 -0.489244D+01 -0.237429D+01
                81            82            83            84            85 
      1  -0.489244D+01 -0.370270D+01  0.203154D+01 -0.242736D+01  0.289443D+01
      2  -0.237429D+01  0.203154D+01  0.177980D+01  0.165014D+01  0.247181D+01
      3  -0.153832D+01 -0.242736D+01  0.165014D+01  0.844684D+00  0.128703D+01
                86            87            88            89            90 
      1   0.247181D+01  0.128703D+01 -0.249428D+01  0.179363D+01  0.133485D+01
      2  -0.886281D+00  0.307150D+01  0.179363D+01  0.421526D+01 -0.245093D+01
      3   0.307150D+01 -0.193502D+01  0.133485D+01 -0.245093D+01 -0.493676D+00
                91            92            93            94            95 
      1   0.214239D+01  0.481131D+01  0.879951D+00  0.786948D+01  0.252357D+01
      2   0.481131D+01  0.507978D+00 -0.168771D+01  0.252357D+01 -0.383575D+01
      3   0.879951D+00 -0.168771D+01 -0.130121D+01 -0.178358D+01  0.907219D+00
                96            97            98            99           100 
      1  -0.178358D+01  0.177076D+01 -0.176272D+01 -0.102525D+00  0.643495D+01
      2   0.907219D+00 -0.176272D+01  0.141331D+01 -0.372769D+01  0.184879D+01
      3  -0.310167D+01 -0.102525D+00 -0.372769D+01 -0.323172D+01 -0.263331D+01
               101           102           103           104           105 
      1   0.184879D+01 -0.263331D+01  0.648995D+00  0.940434D+00 -0.249959D+00
      2   0.144376D+01 -0.574077D+00  0.940434D+00  0.374638D+00 -0.555801D+00
      3  -0.574077D+00  0.216965D+01 -0.249959D+00 -0.555801D+00  0.467099D+00
               106           107           108           109           110 
      1  -0.480239D+01 -0.955029D+00  0.295828D+01  0.265861D+01  0.152872D+01
      2  -0.955029D+00 -0.147980D+01  0.115665D+01  0.152872D+01  0.804234D+00
      3   0.295828D+01  0.115665D+01 -0.258497D+01  0.169728D+01  0.826468D+00
               111           112           113           114           115 
      1   0.169728D+01  0.791510D+00  0.126028D+01  0.982674D+00  0.429887D+01
      2   0.826468D+00  0.126028D+01  0.139999D+01  0.137665D+01  0.200670D+01
      3   0.189073D+01  0.982674D+00  0.137665D+01  0.137875D+01  0.399009D+01
               116           117           118           119           120 
      1   0.200670D+01  0.399009D+01  0.571279D+01 -0.714579D+00 -0.180116D+01
      2   0.253262D+01  0.229412D+01 -0.714579D+00  0.502084D+00 -0.106027D-01
      3   0.229412D+01  0.537630D+01 -0.180116D+01 -0.106027D-01  0.191310D+01
               121           122           123           124           125 
      1  -0.448496D+01  0.828813D+00  0.287096D-01 -0.353273D+01 -0.235497D+00
      2   0.828813D+00 -0.715389D-01 -0.942615D+00 -0.235497D+00 -0.120921D+01
      3   0.287096D-01 -0.942615D+00 -0.102607D+01  0.352658D+01 -0.790628D+00
               126           127           128           129           130 
      1   0.352658D+01 -0.146182D+01  0.449650D+00  0.113564D+01  0.528578D+00
      2  -0.790628D+00  0.449650D+00 -0.164985D+01 -0.823801D+00 -0.947185D+00
      3  -0.837944D+01  0.113564D+01 -0.823801D+00 -0.133915D+01 -0.544761D+00
               131           132           133           134           135 
      1  -0.947185D+00 -0.544761D+00  0.196746D+01 -0.772638D+00 -0.102362D+01
      2   0.200741D+01  0.763497D+00 -0.772638D+00  0.187565D+01  0.165051D+01
      3   0.763497D+00  0.106935D+01 -0.102362D+01  0.165051D+01  0.283905D+01
               136           137           138           139           140 
      1   0.725085D+00  0.995263D+00 -0.372095D+00  0.305926D+00  0.132464D+00
      2   0.995263D+00 -0.170482D-01 -0.117608D+00  0.132464D+00  0.717643D+01
      3  -0.372095D+00 -0.117608D+00 -0.763087D-01 -0.121189D+00 -0.334517D+01
               141           142           143           144           145 
      1  -0.121189D+00 -0.933773D+00 -0.293268D+00 -0.238391D+00 -0.197225D+01
      2  -0.334517D+01 -0.293268D+00 -0.487880D+01  0.340814D+01 -0.162375D+01
      3   0.234125D+01 -0.238391D+00  0.340814D+01 -0.315273D+01  0.533382D+00
               146           147           148           149           150 
      1  -0.162375D+01  0.533382D+00 -0.154855D+01 -0.209033D+01  0.169266D+00
      2  -0.272273D+01  0.487424D+00 -0.209033D+01 -0.572135D+01  0.141074D+01
      3   0.487424D+00 -0.725910D+00  0.169266D+00  0.141074D+01 -0.149873D+01
               151           152           153           154           155 
      1  -0.335511D+00 -0.641353D-01 -0.230531D+00 -0.216280D+01  0.951524D+00
      2  -0.641353D-01  0.247663D-01 -0.541507D+00  0.951524D+00 -0.156886D+01
      3  -0.230531D+00 -0.541507D+00  0.237879D+00  0.130388D+01 -0.713686D+00
               156           157           158           159           160 
      1   0.130388D+01  0.148548D+01 -0.141761D+01 -0.887198D+00  0.103323D+01
      2  -0.713686D+00 -0.141761D+01  0.217502D+01  0.115249D+01 -0.736907D+00
      3  -0.165241D+01 -0.887198D+00  0.115249D+01  0.249227D+01 -0.919558D+00
               161           162           163           164           165 
      1  -0.736907D+00 -0.919558D+00  0.537447D+01 -0.142972D+01  0.376152D+01
      2   0.107159D+01  0.115004D+01 -0.142972D+01  0.116457D+01 -0.141309D+01
      3   0.115004D+01  0.243318D+01  0.376152D+01 -0.141309D+01  0.440354D+01
               166           167           168           169           170 
      1  -0.481231D+00  0.668407D+00 -0.738299D+00  0.240824D+01 -0.103472D+01
      2   0.668407D+00 -0.110042D+01  0.118674D+01 -0.103472D+01  0.102180D+01
      3  -0.738299D+00  0.118674D+01 -0.695745D+00  0.311918D+01 -0.117825D+01
               171           172           173           174           175 
      1   0.311918D+01  0.241929D+01 -0.170601D+00 -0.161193D+01  0.105952D+01
      2  -0.117825D+01 -0.170601D+00  0.104939D+00 -0.236475D+00 -0.320286D-01
      3   0.450973D+01 -0.161193D+01 -0.236475D+00  0.216890D+01 -0.887865D+00
               176           177           178           179           180 
      1  -0.320286D-01 -0.887865D+00 -0.250602D+01  0.111340D+00  0.326866D+01
      2   0.423909D+00 -0.772563D+00  0.111340D+00 -0.139698D+01  0.119218D-01
      3  -0.772563D+00  0.154973D+01  0.326866D+01  0.119218D-01 -0.677468D+01
               181           182           183           184           185 
      1  -0.103033D+01 -0.108296D+01  0.728245D-01 -0.156243D+01 -0.628879D+00
      2  -0.108296D+01 -0.345330D+01 -0.816957D+00 -0.628879D+00 -0.787122D+01
      3   0.728245D-01 -0.816957D+00 -0.605864D+00 -0.219007D+00 -0.125368D+01
               186           187           188           189           190 
      1  -0.219007D+00  0.334063D+00 -0.417169D+00  0.188615D+00  0.808870D+01
      2  -0.125368D+01 -0.417169D+00 -0.737790D+00 -0.102979D+01 -0.314815D+01
      3  -0.114096D+01  0.188615D+00 -0.102979D+01 -0.868333D+00  0.208409D+01
               191           192           193           194           195 
      1  -0.314815D+01  0.208409D+01 -0.141975D+01  0.161000D+01 -0.746755D+00
      2   0.183244D+01 -0.848025D+00  0.161000D+01 -0.182129D+01  0.555272D+00
      3  -0.848025D+00  0.193030D+01 -0.746755D+00  0.555272D+00 -0.292415D+00
               196           197           198           199           200 
      1   0.498849D+01 -0.205729D+01  0.233390D+01  0.274400D+00 -0.897829D+00
      2  -0.205729D+01  0.181856D+01 -0.784943D+00 -0.897829D+00 -0.400199D+00
      3   0.233390D+01 -0.784943D+00  0.163448D+01 -0.577103D+00 -0.120963D+00
               201           202           203           204           205 
      1  -0.577103D+00 -0.197076D+01 -0.526909D-01  0.269962D+00 -0.195365D+01
      2  -0.120963D+00 -0.526909D-01 -0.565472D+01 -0.166260D+01  0.372391D+00
      3  -0.369896D-01  0.269962D+00 -0.166260D+01 -0.150895D+01 -0.782571D+00
               206           207           208           209           210 
      1   0.372391D+00 -0.782571D+00 -0.885247D+00  0.125938D+01  0.579640D+00
      2  -0.126374D+01 -0.112340D+01  0.125938D+01  0.189034D+00 -0.128878D+00
      3  -0.112340D+01 -0.734967D+00  0.579640D+00 -0.128878D+00 -0.163920D+00
               211           212           213           214           215 
      1   0.213379D+01 -0.314716D+00 -0.316094D+00  0.806460D+00 -0.476680D+00
      2  -0.314716D+00  0.578085D+01  0.112912D+01 -0.476680D+00  0.135927D+01
      3  -0.316094D+00  0.112912D+01  0.879258D+00  0.361984D+00  0.574912D+00
               216           217           218           219           220 
      1   0.361984D+00 -0.249602D+01  0.505214D+00 -0.728389D+00  0.317551D+01
      2   0.574912D+00  0.505214D+00 -0.659557D+00  0.568378D+00 -0.297471D+01
      3   0.183656D+00 -0.728389D+00  0.568378D+00 -0.258383D+00  0.411139D+00
               221           222           223           224           225 
      1  -0.297471D+01  0.411139D+00 -0.247624D+01  0.165094D+01 -0.106333D+01
      2   0.606793D+01 -0.175294D+01  0.165094D+01 -0.307066D+01  0.229042D+01
      3  -0.175294D+01  0.236587D+01 -0.106333D+01  0.229042D+01 -0.186538D+01
               226           227           228           229           230 
      1  -0.557130D+00 -0.386482D+00  0.557369D+00  0.120022D+01 -0.118329D+01
      2  -0.386482D+00  0.536838D+00  0.618294D+00 -0.118329D+01  0.257980D+01
      3   0.557369D+00  0.618294D+00  0.984492D+00 -0.305386D+00  0.165894D+01
               231           232           233           234           235 
      1  -0.305386D+00  0.300169D+01 -0.601984D+00 -0.135103D+01 -0.959216D+01
      2   0.165894D+01 -0.601984D+00  0.216609D+01  0.288019D+01 -0.200644D+01
      3   0.236470D+01 -0.135103D+01  0.288019D+01  0.689399D+01  0.795951D+00
               236           237           238           239           240 
      1  -0.200644D+01  0.795951D+00 -0.501710D+01 -0.186576D+01  0.671248D+00
      2  -0.155493D+01  0.293265D+00 -0.186576D+01 -0.139481D+01  0.958269D-01
      3   0.293265D+00 -0.115221D+01  0.671248D+00  0.958269D-01 -0.635531D+00
               241           242           243 
      1   0.224824D+00  0.290334D+00 -0.113972D+01
      2   0.290334D+00 -0.587781D-01 -0.282299D-01
      3  -0.113972D+01 -0.282299D-01  0.575058D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.253025D+01  0.108309D+02  0.171272D+01  0.108520D+02  0.388306D+01
      2  -0.739656D+01  0.649048D+00  0.464536D+01  0.242295D+01 -0.110819D+02
      3  -0.102051D+01 -0.100062D+02  0.839849D+00 -0.539339D+01 -0.811224D+01
                 6             7             8             9            10 
      1  -0.791381D+01  0.217062D+01 -0.159394D+01 -0.326298D+01  0.606588D+01
      2  -0.770912D+01 -0.162316D+01 -0.640116D+01  0.740659D+01  0.261911D+02
      3  -0.238230D+00 -0.152093D+01 -0.794256D+00  0.455072D+01  0.422137D+01
                11            12            13            14            15 
      1  -0.505762D+01  0.200579D+01 -0.354710D+01 -0.187523D+00 -0.342456D+01
      2  -0.722431D+01  0.125338D+02 -0.162857D+02  0.521909D+01  0.295610D+01
      3   0.555262D+01  0.243820D+01  0.116201D+02  0.151992D+02 -0.136089D+01
                16            17            18            19            20 
      1   0.988538D+00  0.575739D+01 -0.117481D+01 -0.761968D+01  0.321625D+01
      2   0.150383D+02  0.243041D+01 -0.378064D+01 -0.272860D+02  0.391599D+01
      3   0.462887D+01 -0.501259D+00 -0.400150D+01 -0.592241D+01 -0.406462D+01
                21            22            23            24            25 
      1  -0.240748D+01  0.189885D+01  0.594089D+01 -0.974245D+00 -0.181546D+01
      2   0.452716D+00  0.123965D+02 -0.397995D+01  0.437030D+01 -0.195455D+02
      3   0.532262D+00  0.909725D+01 -0.112990D+01  0.105636D+01  0.889043D+00
                26            27            28            29            30 
      1   0.419548D+01 -0.311051D+01  0.721913D+01 -0.774869D+00  0.122462D+01
      2   0.326540D+01 -0.328878D+01  0.315204D+02  0.812031D-01 -0.771016D+01
      3   0.130051D+01 -0.139554D+01  0.125044D+02  0.366009D+01 -0.265609D+01
                31            32            33            34            35 
      1   0.157859D+01 -0.328419D+01 -0.487078D+00 -0.213624D+01  0.264372D+01
      2  -0.709712D+01  0.127107D+01  0.650182D+00 -0.395975D+02 -0.575241D+00
      3   0.113124D+02  0.114446D+01 -0.332017D+00 -0.773518D+01 -0.206862D+01
                36            37            38            39            40 
      1   0.278597D+01 -0.228497D+01  0.499788D-01  0.145875D+00  0.292412D+01
      2   0.837723D+01 -0.307431D+02 -0.226856D+01  0.109766D+02  0.720994D+01
      3   0.180392D+01 -0.225884D+02 -0.122056D+02  0.263580D+01  0.102015D+02
                41            42            43            44            45 
      1  -0.778416D+00 -0.271158D+00  0.882915D+01  0.489664D+01 -0.119604D+01
      2  -0.230661D+00 -0.139399D+01  0.171186D+02 -0.162823D+01 -0.863094D+01
      3  -0.426005D+01 -0.331377D+01  0.750995D+01 -0.629165D+00 -0.400878D+00
                46            47            48            49            50 
      1  -0.103989D+01  0.275697D+01 -0.178350D+01  0.324667D+01 -0.183661D+01
      2   0.533843D+01  0.422922D+01 -0.119167D+02  0.111634D+02  0.148859D+01
      3   0.449434D+01  0.537122D+01 -0.124272D+01  0.403177D+02  0.260126D+02
                51            52            53            54            55 
      1   0.413705D+01  0.382981D+01  0.768465D+01  0.353976D+01  0.208974D+01
      2  -0.678907D+01 -0.245152D+02 -0.724865D+00  0.426723D+01 -0.667930D+00
      3  -0.145135D+01  0.725461D+00  0.323403D+01  0.207424D+01 -0.294509D+01
                56            57            58            59            60 
      1  -0.468692D+00 -0.167315D+00 -0.708239D+00  0.373493D+00 -0.923519D+01
      2   0.762077D-01  0.752990D+01 -0.108299D+02 -0.985863D+00  0.115762D+02
      3  -0.941609D+01 -0.176979D+01 -0.229281D+02 -0.421394D+02 -0.196453D+01
                61            62            63            64            65 
      1   0.238199D+00  0.967132D+00 -0.225514D+01 -0.522135D+01  0.374010D+01
      2   0.599988D+01  0.686597D+01  0.275661D+01 -0.107257D+02  0.107328D+02
      3  -0.454596D+01 -0.511438D+01 -0.794368D+01  0.211243D+01 -0.178552D+02
                66            67            68            69            70 
      1  -0.740731D+01  0.365933D+01 -0.313196D+01 -0.432370D+01 -0.103969D+02
      2  -0.921230D+01  0.950422D+01  0.576602D+00 -0.372493D+01 -0.174605D+02
      3  -0.582012D+01 -0.667910D+01 -0.192405D+02 -0.446289D+01 -0.464828D+01
                71            72            73            74            75 
      1   0.149551D+01  0.855862D+01 -0.421466D+01  0.327391D+01  0.375191D+01
      2  -0.131274D+00  0.117067D+02  0.254125D+01 -0.148711D+01 -0.865642D+01
      3  -0.420909D+01  0.933142D+01  0.907842D+01 -0.159226D+02  0.765435D+01
                76            77            78            79            80 
      1   0.221349D+01  0.340838D+01  0.672922D+00  0.792159D+01  0.637904D+01
      2  -0.478466D+01 -0.189721D+01 -0.581836D+01 -0.220011D+02 -0.890380D+01
      3  -0.858969D+01 -0.164071D+02 -0.259986D-01  0.814983D+01 -0.100607D+01
                81            82            83            84            85 
      1   0.196575D+01  0.534861D+01 -0.608871D+01 -0.255639D+01 -0.848325D+01
      2  -0.591235D+01 -0.466682D+01  0.261763D+01  0.236808D+01  0.525581D+01
      3   0.213629D+01 -0.123953D+02 -0.422277D+00 -0.890748D+01  0.737240D+01
                86            87            88            89            90 
      1  -0.103041D+02  0.834289D+00 -0.218920D+01  0.820787D+01  0.133486D+01
      2   0.414001D+01 -0.928422D+00 -0.178895D+01 -0.143810D+00 -0.277404D+00
      3   0.533769D+01  0.849328D+00 -0.117371D+02  0.274748D+00  0.638905D+01
                91            92            93            94            95 
      1   0.796163D+00  0.147501D+01  0.233693D+01  0.436953D+01 -0.352109D+01
      2  -0.508941D+01  0.568520D+01  0.115228D+02  0.741776D+01 -0.556490D+01
      3   0.202743D+02  0.191598D+01 -0.617367D+01  0.185315D+02 -0.141795D+02
                96            97            98            99           100 
      1   0.126391D+01 -0.604375D+01  0.866415D+01  0.184131D+01  0.369299D+01
      2   0.125485D+02 -0.902502D+01  0.208681D+02  0.153780D+02 -0.804278D+01
      3   0.223831D+01 -0.612399D+01  0.559694D+01 -0.166456D+02  0.368991D+01
               101           102           103           104           105 
      1  -0.257667D+00 -0.357502D+01  0.490640D+00  0.594365D+00 -0.164821D+01
      2  -0.155160D+01  0.926093D+01 -0.117110D+01 -0.155225D+01  0.178447D+01
      3  -0.401045D+01 -0.192710D+01  0.185791D+00  0.565907D+00  0.133315D+01
               106           107           108           109           110 
      1  -0.382126D+01  0.219723D+00  0.398869D+01 -0.189897D+01 -0.138824D+00
      2   0.688102D+01  0.310792D+01 -0.885665D+01  0.285487D+01  0.225069D+01
      3  -0.371287D+01  0.491617D+01  0.482195D+00  0.135622D+00 -0.204838D+01
               111           112           113           114           115 
      1  -0.292298D+01 -0.163844D+01 -0.116642D+01 -0.280679D+01 -0.475772D+01
      2   0.708682D+01  0.162240D+01  0.435770D+01  0.470592D+01  0.919003D+01
      3  -0.363017D+00 -0.738029D-01 -0.275848D+01 -0.257070D+01 -0.198528D+00
               116           117           118           119           120 
      1   0.699573D+00 -0.796492D+01  0.831314D+00 -0.142291D+01 -0.362691D+00
      2   0.673724D+01  0.172878D+02  0.425967D+01 -0.113056D+01  0.137122D+01
      3  -0.697102D+01 -0.188659D+01  0.142882D+01 -0.174473D+01 -0.634768D+00
               121           122           123           124           125 
      1  -0.269380D+01 -0.423709D-01  0.407402D+00  0.960755D+00  0.407917D+01
      2  -0.478370D+01  0.459963D+00 -0.742569D+00 -0.332370D+01 -0.837185D+00
      3   0.122121D+01 -0.244088D+00  0.545426D+00 -0.798933D+00  0.162485D+01
               126           127           128           129           130 
      1   0.299350D+01 -0.313945D+01  0.185381D+01  0.415605D+01  0.173519D+01
      2  -0.441729D+01  0.239303D+01 -0.820033D+00 -0.335162D+00 -0.107044D+01
      3   0.114279D+01 -0.658473D+01  0.183575D+01  0.476956D+01  0.397680D+01
               131           132           133           134           135 
      1  -0.169857D+01 -0.362423D+01  0.306441D+01 -0.201737D+01 -0.838437D+01
      2   0.927811D+00  0.784109D+00 -0.330979D+01  0.182592D+01  0.238326D+01
      3  -0.502409D+01 -0.262617D+01  0.788333D+01 -0.409831D+01 -0.601604D+01
               136           137           138           139           140 
      1   0.120372D+00  0.568507D+00  0.439926D+00 -0.393732D+00  0.348863D+01
      2   0.116107D+00  0.196724D+00  0.485775D+00  0.101485D+01 -0.316858D+01
      3  -0.121405D+01  0.947676D+00 -0.357915D+00  0.482663D+01 -0.101735D+02
               141           142           143           144           145 
      1  -0.659492D+01  0.746153D+00 -0.369836D+01  0.685206D+01 -0.344242D+01
      2   0.226598D+01 -0.233778D+01  0.334369D+01 -0.328124D+01  0.631502D+01
      3   0.457154D+01 -0.271831D+01  0.594580D+01 -0.557413D+01  0.732195D+01
               146           147           148           149           150 
      1  -0.552658D+01 -0.131318D+01 -0.461260D+01 -0.949905D+01 -0.186621D+01
      2   0.439709D+01 -0.117248D+01  0.511103D+01  0.761337D+01 -0.172158D+01
      3   0.526779D+01 -0.120401D+01  0.832586D+01  0.109306D+02 -0.267939D+01
               151           152           153           154           155 
      1  -0.102232D+01  0.793993D+00 -0.129010D+01  0.411163D+01 -0.565227D+01
      2  -0.133884D+01 -0.690301D+00  0.731681D+00  0.953819D+01 -0.410173D+01
      3   0.113572D+01  0.319376D+00  0.137192D+01 -0.369366D+00  0.240766D+00
               156           157           158           159           160 
      1  -0.215045D+01 -0.466678D+01  0.762590D+01  0.222929D+01 -0.227782D+01
      2  -0.387658D+01 -0.639961D+01  0.588544D+01  0.537992D+01 -0.525679D+01
      3  -0.183266D+00  0.248687D+01 -0.884006D+00 -0.861794D+00  0.403302D+00
               161           162           163           164           165 
      1   0.450793D+01  0.377878D+01  0.112002D+01  0.196369D+01  0.224376D+01
      2   0.366185D+01  0.546485D+01 -0.331684D+01 -0.592077D+00  0.422001D+01
      3  -0.908668D-01 -0.982990D+00 -0.199606D+01 -0.285479D+01 -0.215844D+00
               166           167           168           169           170 
      1   0.193939D+00 -0.102969D+01  0.162728D+00  0.117370D+01  0.271651D+01
      2   0.791114D+00  0.148350D+01  0.163936D+00 -0.317476D+01 -0.516283D-01
      3   0.348187D+00  0.185966D+01 -0.131253D+01 -0.176030D+01 -0.179542D+01
               171           172           173           174           175 
      1   0.282923D+01 -0.257065D+01 -0.126348D+01  0.405928D+01 -0.872045D+00
      2   0.343578D+01 -0.302141D+01 -0.779134D+00  0.702146D+01 -0.121899D+01
      3  -0.752460D+00 -0.267610D+01 -0.116496D+01  0.326452D+01 -0.275613D-01
               176           177           178           179           180 
      1  -0.242602D+01  0.200063D+01  0.488030D+01  0.442484D+01 -0.110857D+02
      2  -0.251540D+01  0.456620D+01  0.553057D+01  0.647186D+00 -0.197172D+02
      3  -0.183450D+01  0.342063D+01  0.344202D+01  0.577098D+01 -0.500407D+01
               181           182           183           184           185 
      1   0.853848D+00  0.415740D+00 -0.169616D+01  0.304163D+00  0.242261D+01
      2  -0.107472D+01 -0.298178D+01 -0.621068D+00 -0.208375D+01 -0.447338D+01
      3   0.787428D+01  0.121836D+02  0.234605D+01  0.821021D+01  0.268860D+02
               186           187           188           189           190 
      1  -0.394940D+01  0.327863D+00  0.403404D-01 -0.134650D+01  0.537858D+01
      2  -0.293426D+01 -0.341543D+00 -0.305168D+01 -0.225029D+01  0.101191D+02
      3   0.461780D+01  0.156098D+01  0.355286D+01  0.297704D+01 -0.367201D+01
               191           192           193           194           195 
      1  -0.192298D+01  0.477950D+01 -0.229717D+01  0.164480D+01 -0.184247D+01
      2  -0.443653D+01  0.103073D+02 -0.363123D+01  0.276362D+01 -0.200175D+01
      3  -0.375873D+01 -0.667459D+00 -0.444354D+00  0.412924D+01 -0.410144D+00
               196           197           198           199           200 
      1   0.437169D+01 -0.485737D+00  0.353698D+01 -0.785256D+00  0.624358D+00
      2   0.829148D+01 -0.305260D+01  0.770264D+01  0.464119D+00 -0.670060D+00
      3  -0.556202D+00 -0.384928D+01 -0.114323D+01  0.158845D+01  0.132408D+00
               201           202           203           204           205 
      1  -0.638529D+00  0.121993D+01  0.539341D+01 -0.251458D+01 -0.583604D+01
      2   0.797057D-01 -0.235112D+01 -0.465029D+00  0.145786D+01 -0.169545D+01
      3  -0.112272D+00  0.450574D+01 -0.321222D+01  0.166751D+00  0.138088D+01
               206           207           208           209           210 
      1   0.123425D+01  0.409440D+00 -0.169282D+01  0.160741D+00  0.217699D+00
      2   0.106157D+01 -0.169357D-01 -0.374694D+01  0.239609D+00  0.661072D+00
      3  -0.138342D+00 -0.143112D+01  0.338824D+01  0.153575D+01  0.169529D+00
               211           212           213           214           215 
      1   0.160409D+01 -0.862855D+00 -0.386313D+01 -0.592189D+01  0.380067D+00
      2   0.232936D+01 -0.292376D+01 -0.235671D+01 -0.934838D+01 -0.152041D+01
      3   0.457858D+01  0.109878D+02  0.217004D+01  0.117592D+01  0.224893D+01
               216           217           218           219           220 
      1   0.441835D-01  0.244732D+00 -0.825400D+00  0.674912D+00 -0.249680D+01
      2   0.557330D+00  0.141073D+01 -0.228856D+01  0.264109D+01 -0.384634D+01
      3   0.113946D+01  0.386426D+00 -0.340568D+01  0.169692D+01 -0.789216D+01
               221           222           223           224           225 
      1   0.462627D+01 -0.459394D+01  0.251478D+01 -0.274136D+01  0.334023D+01
      2   0.978996D+01 -0.101199D+02  0.684641D+01 -0.112590D+02  0.802755D+01
      3   0.234109D+02 -0.729089D+01  0.444750D+01 -0.122669D+02  0.904828D+01
               226           227           228           229           230 
      1   0.338599D+00 -0.254403D+00 -0.101492D+01  0.486578D-02  0.560709D-01
      2  -0.443095D+00 -0.341579D+01 -0.486959D+01  0.267289D+00 -0.740917D+01
      3  -0.607126D+00  0.829849D+00  0.294094D+01 -0.244849D+01  0.941542D+01
               231           232           233           234           235 
      1  -0.244367D+01  0.158698D+01  0.122179D+00 -0.528269D+01 -0.177125D+01
      2  -0.102685D+02  0.407228D+01 -0.133432D+02 -0.303296D+02  0.371270D+00
      3   0.663067D+01  0.102446D+01  0.857109D+01  0.112141D+02 -0.148460D+02
               236           237           238           239           240 
      1  -0.127559D+01  0.246965D+00 -0.109749D+01 -0.803099D+00 -0.781621D+00
      2  -0.209506D+00  0.665644D+01 -0.952944D+00  0.271360D+00  0.329945D+01
      3  -0.107452D+02  0.183403D+01 -0.844814D+01 -0.794184D+01  0.513950D+00
               241           242           243 
      1   0.952350D+00  0.578714D+00 -0.332082D+00
      2   0.252147D+01  0.160880D+00 -0.193658D+01
      3   0.169934D+01  0.176704D+00 -0.483581D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.539866D+01  0.513277D+01 -0.851273D+01  0.201657D+01  0.195980D+02
      2   0.730802D+01 -0.185568D+02  0.123360D+02 -0.143061D+02 -0.127284D+02
      3  -0.127067D+02  0.134241D+02 -0.382330D+01  0.122895D+02 -0.686959D+01
      4   0.736579D+01  0.803426D+01  0.127726D+02  0.102393D+02 -0.896267D+00
      5  -0.222646D+02  0.120099D+02 -0.263744D+02  0.118276D+02  0.366920D+01
      6   0.688476D+01  0.694783D+01  0.120576D+02  0.739647D+01  0.677059D+01
                 6             7             8             9            10 
      1   0.101329D+02 -0.469097D+01  0.127466D+02 -0.193874D+02 -0.630581D+00
      2   0.258326D+00  0.921927D+01 -0.198729D+01  0.984416D+01 -0.294593D+01
      3  -0.103912D+02 -0.452829D+01 -0.107594D+02  0.954321D+01  0.357651D+01
      4  -0.673407D+01  0.151677D+02 -0.612184D+01  0.297843D+01 -0.171203D+02
      5   0.317341D+00 -0.256491D+02  0.522487D+01 -0.797207D+01  0.112843D+02
      6  -0.217060D+01  0.115775D+02 -0.195819D+01 -0.677570D+01 -0.877970D+01
                11            12            13            14            15 
      1  -0.669442D+01  0.180132D+01  0.241401D+01 -0.251996D+02 -0.102847D+02
      2   0.108583D+02 -0.195269D+01  0.362200D+00  0.112345D+02  0.224008D+01
      3  -0.416392D+01  0.151372D+00 -0.277621D+01  0.139651D+02  0.804458D+01
      4  -0.141854D+02 -0.132735D+02 -0.183804D+02 -0.212452D+02  0.624849D+01
      5  -0.118832D+02  0.150790D+02 -0.136711D+02  0.148231D+01  0.717321D+01
      6   0.793335D+01 -0.219938D+01  0.243378D+01 -0.107949D+02 -0.176130D+01
                16            17            18            19            20 
      1   0.389449D+01 -0.165671D+02  0.163491D+02  0.317558D+02  0.111267D+02
      2   0.410370D+01  0.628848D+01 -0.111550D+02 -0.129793D+02 -0.113533D+02
      3  -0.799819D+01  0.102787D+02 -0.519404D+01 -0.187765D+02  0.226687D+00
      4  -0.215971D+02  0.131604D+02  0.214519D+01  0.235613D+02 -0.548593D+01
      5   0.226387D+02  0.278790D+01 -0.975154D+01  0.112253D+02  0.291425D+01
      6  -0.281295D+01 -0.113018D+01  0.854767D+01  0.838889D+01  0.955428D+00
                21            22            23            24            25 
      1  -0.386801D+01  0.387684D+01  0.328985D+01  0.323734D+01 -0.206165D+02
      2  -0.248984D+01 -0.433048D+01 -0.729048D+01 -0.160436D+01 -0.693565D+01
      3   0.635784D+01  0.453642D+00  0.400063D+01 -0.163298D+01  0.275522D+02
      4   0.482897D+01 -0.600056D+01 -0.282160D+01 -0.474584D+01  0.123947D+02
      5  -0.689567D+01  0.564506D+01 -0.100457D+01  0.375858D+01 -0.179448D+02
      6   0.402600D+00  0.169394D+01  0.400026D+01  0.295368D+01 -0.242461D+01
                26            27            28            29            30 
      1   0.827009D+01  0.103798D+02 -0.111995D+03 -0.231820D+01  0.802291D+01
      2  -0.654534D+01  0.131722D+02  0.436552D+02 -0.976134D+00 -0.240003D+01
      3  -0.172476D+01 -0.235519D+02  0.683395D+02  0.329434D+01 -0.562288D+01
      4  -0.102103D+02  0.276819D+01 -0.151056D+02 -0.923649D+01  0.218492D+01
      5   0.319664D+01  0.158015D+02 -0.103420D+02  0.216464D+01 -0.102422D+02
      6   0.363972D+01 -0.108888D+01 -0.739413D+01 -0.344401D+01  0.201772D+01
                31            32            33            34            35 
      1   0.405376D+02  0.333057D+01  0.241712D+01  0.379921D+02  0.711253D+01
      2  -0.183484D+02 -0.244967D+01 -0.228519D+01 -0.892897D+01 -0.496331D+01
      3  -0.221892D+02 -0.880896D+00 -0.131930D+00 -0.290632D+02 -0.214921D+01
      4   0.584217D+00 -0.313574D+01 -0.171718D+01  0.280466D+01  0.544681D+01
      5  -0.231252D+01 -0.284805D+01  0.199387D+01 -0.238413D+01 -0.155749D+01
      6  -0.131755D+01 -0.902657D+01 -0.207272D+01 -0.610292D+00  0.385082D+01
                36            37            38            39            40 
      1  -0.276020D+02  0.135741D+03  0.836802D+01 -0.134407D+02 -0.378016D+02
      2  -0.107027D+01 -0.481418D+02 -0.164370D+01  0.332861D+01  0.178717D+02
      3   0.286723D+02 -0.875989D+02 -0.672432D+01  0.101120D+02  0.199300D+02
      4  -0.211866D+01  0.231587D+02  0.209042D+02 -0.392105D+01  0.225487D+02
      5   0.983766D+01  0.548404D+01 -0.135653D+01  0.175875D+02  0.160203D+00
      6  -0.309246D+01  0.783078D+01  0.296207D+01 -0.401327D+01  0.227706D+01
                41            42            43            44            45 
      1   0.929265D+01  0.838477D+01 -0.357582D+02  0.684583D+00  0.429960D+01
      2  -0.827128D+01 -0.326545D+01  0.158357D+02 -0.242388D+01 -0.668251D+01
      3  -0.102137D+01 -0.511932D+01  0.199226D+02  0.173930D+01  0.238291D+01
      4   0.661815D+01  0.297190D+01 -0.984351D+01  0.107264D+01 -0.256559D+01
      5   0.557004D+01 -0.682185D+01  0.240250D+02 -0.379895D+01 -0.543080D+01
      6  -0.299044D+01  0.481546D+01 -0.102164D+02  0.519123D+01 -0.503875D+00
                46            47            48            49            50 
      1  -0.587715D+02  0.734547D+01  0.443267D+01 -0.379797D+02 -0.206952D+02
      2   0.159128D+02 -0.653761D+01 -0.592896D+01  0.156622D+01 -0.354704D+01
      3   0.428587D+02 -0.807860D+00  0.149629D+01  0.364135D+02  0.242422D+02
      4  -0.832365D+01 -0.232842D+02 -0.379632D+01 -0.715681D+02 -0.468064D+02
      5   0.551823D+01 -0.739282D+01 -0.160683D+02 -0.228660D+02 -0.661564D+01
      6  -0.106466D+02  0.264271D+01  0.266598D+01 -0.780651D+01 -0.589966D+01
                51            52            53            54            55 
      1  -0.459692D+01  0.481387D+01 -0.829989D+01 -0.260682D+01  0.335359D+02
      2   0.556780D+01 -0.585972D+01 -0.424216D+00 -0.387134D+01 -0.130611D+02
      3  -0.970882D+00  0.104585D+01  0.872410D+01  0.647816D+01 -0.204749D+02
      4  -0.913622D+00 -0.205990D+02 -0.326987D+01 -0.438071D+01  0.255567D+02
      5  -0.428374D+01  0.190025D+01 -0.515341D+01  0.130739D+01  0.706910D+01
      6  -0.691322D+01  0.727029D+00  0.370609D+01 -0.467767D+01  0.258824D+01
                56            57            58            59            60 
      1   0.125889D+02  0.230346D+01  0.668803D+02  0.464791D+01 -0.353560D+01
      2  -0.289897D+01 -0.192662D+00 -0.150332D+02  0.297921D+02  0.332434D+00
      3  -0.968997D+01 -0.211080D+01 -0.518471D+02 -0.344400D+02  0.320316D+01
      4   0.258346D+02  0.452418D+01  0.756924D+02  0.813595D+02  0.540034D+01
      5   0.572032D+01  0.126525D+02  0.111071D+02  0.115416D+02  0.161266D+02
      6   0.141136D+01  0.219386D+01  0.910214D+01  0.676482D+01  0.149917D+02
                61            62            63            64            65 
      1   0.169255D+02  0.359926D+01 -0.245823D-01 -0.276040D+02  0.240962D+02
      2  -0.606220D+01 -0.886656D+00  0.971571D-01  0.113221D+02 -0.229490D+02
      3  -0.108633D+02 -0.271260D+01 -0.725748D-01  0.162819D+02 -0.114722D+01
      4   0.157603D+02  0.857450D+01  0.201533D+02  0.197544D+02  0.109536D+02
      5   0.209771D+02  0.199891D+02  0.986120D+01 -0.167662D+02  0.171111D+02
      6   0.960872D+01  0.135791D+02  0.642298D+01  0.112696D+02 -0.140763D+02
                66            67            68            69            70 
      1  -0.125697D+02  0.163498D+02  0.306577D+02  0.195757D+02 -0.203166D+02
      2  -0.400669D+01 -0.141386D+02 -0.266042D+02 -0.127871D+02 -0.258539D+01
      3   0.165764D+02 -0.221115D+01 -0.405353D+01 -0.678869D+01  0.229020D+02
      4   0.214399D+02  0.115070D+02  0.428162D+01 -0.787158D+01  0.269681D+02
      5  -0.183554D+02  0.184582D+02 -0.602516D+01 -0.118188D+02 -0.252047D+02
      6   0.578806D+01 -0.112125D+02 -0.145298D+01  0.323009D+01  0.760415D+01
                71            72            73            74            75 
      1   0.223048D+02 -0.242052D+02  0.184319D+01 -0.153186D+02  0.219180D+02
      2  -0.131098D+02  0.241532D+02 -0.255459D+01  0.114416D+02 -0.127847D+02
      3  -0.919496D+01  0.519729D-01  0.711404D+00  0.387706D+01 -0.913333D+01
      4  -0.119108D+02  0.314044D+00 -0.125462D+02  0.237276D+01  0.348836D+01
      5  -0.594492D+01  0.279880D+02  0.116872D+02 -0.237149D+01 -0.201246D+02
      6   0.363658D+01 -0.538099D+01  0.483975D+01 -0.678128D+01 -0.698071D+01
                76            77            78            79            80 
      1  -0.190990D+02  0.127552D+02 -0.566669D+01  0.235201D+02 -0.209234D+00
      2   0.186537D+02  0.226425D+01  0.456714D+01 -0.132686D+02  0.845150D+00
      3   0.445313D+00 -0.150195D+02  0.109955D+01 -0.102515D+02 -0.635916D+00
      4   0.103566D+02  0.377595D+02 -0.400357D+01 -0.179270D+01 -0.910786D+01
      5  -0.975796D+01  0.195793D+01 -0.125416D+02 -0.342007D+02 -0.170690D+02
      6  -0.308585D+01  0.113934D+01 -0.513855D+01 -0.140958D+02 -0.710296D+01
                81            82            83            84            85 
      1  -0.206463D+02 -0.193949D+02 -0.227023D+01 -0.146158D+02  0.781317D+00
      2   0.137234D+02  0.165361D+02  0.759700D+01  0.139870D+02  0.327041D+01
      3   0.692286D+01  0.285885D+01 -0.532677D+01  0.628790D+00 -0.405173D+01
      4  -0.218897D+02 -0.210203D+01  0.996741D+01 -0.456358D+01  0.102787D+02
      5  -0.114929D+02 -0.738442D+01  0.205911D+01  0.957554D+00  0.556985D+01
      6  -0.934264D+01 -0.107584D+02  0.599686D+01  0.318477D+01  0.325463D+01
                86            87            88            89            90 
      1   0.105860D+02 -0.643485D+01 -0.174741D+02 -0.129778D+02  0.138195D+02
      2  -0.481641D+01  0.105585D+02  0.159897D+02  0.197045D+02 -0.157420D+02
      3  -0.576956D+01 -0.412370D+01  0.148444D+01 -0.672674D+01  0.192248D+01
      4  -0.130018D+01  0.125377D+02 -0.395768D+01  0.178500D+02 -0.109881D+01
      5   0.657625D+01 -0.195245D+01  0.339582D+01 -0.389589D+01  0.399841D+00
      6   0.180587D+02 -0.132970D+02  0.442629D+01 -0.185655D+02  0.256431D+01
                91            92            93            94            95 
      1  -0.243794D+02 -0.383287D+02 -0.103061D+01 -0.570339D+02 -0.130911D+02
      2   0.145596D+02  0.206651D+02  0.243585D+01  0.305346D+02  0.389281D+01
      3   0.981972D+01  0.176636D+02 -0.140524D+01  0.264993D+02  0.919833D+01
      4  -0.450208D+02  0.292832D+01  0.145735D+02 -0.157649D+02  0.264579D+02
      5  -0.695010D+01  0.157707D+02  0.141115D+02  0.181491D+02 -0.103440D+02
      6   0.658362D+01 -0.373379D+01 -0.578371D+01 -0.417009D+01  0.592630D+01
                96            97            98            99           100 
      1   0.157368D+02 -0.113507D+02  0.164418D+02  0.151613D+02  0.495525D+02
      2  -0.779479D+00  0.996675D+00  0.223665D+01 -0.495326D+01 -0.244957D+02
      3  -0.149573D+02  0.103540D+02 -0.186785D+02 -0.102081D+02 -0.250569D+02
      4  -0.108793D+02  0.184572D+02 -0.171619D+02  0.268987D+02  0.255103D+02
      5   0.222173D+02  0.298042D+00  0.289941D+02  0.212524D+02 -0.218156D+02
      6  -0.583781D+01  0.216218D+01 -0.100773D+02 -0.860027D+01 -0.581277D+01
               101           102           103           104           105 
      1   0.105753D+02 -0.182771D+02  0.434152D+01  0.444221D+01  0.709704D-01
      2  -0.291371D+01  0.967290D+01 -0.910717D-01 -0.695762D+00 -0.152481D+01
      3  -0.766157D+01  0.860421D+01 -0.425045D+01 -0.374645D+01  0.145384D+01
      4   0.148774D+02 -0.850838D+01  0.115853D+02  0.526763D+01 -0.528233D+01
      5  -0.422718D+01  0.179833D+02 -0.200547D+01 -0.521709D+01  0.357972D+01
      6  -0.201202D+01  0.561957D+01 -0.241444D+01 -0.262133D+01  0.414184D+01
               106           107           108           109           110 
      1  -0.302260D+02 -0.384261D+01  0.155055D+02  0.189642D+02  0.792890D+01
      2   0.164422D+02 -0.655686D+00 -0.113056D+02 -0.105851D+02 -0.364304D+01
      3   0.137838D+02  0.449829D+01 -0.419992D+01 -0.837907D+01 -0.428587D+01
      4  -0.156276D+02 -0.116309D+02  0.126207D+02  0.167994D+02  0.107624D+02
      5   0.241217D+02  0.810830D+01 -0.192282D+02  0.151899D+02  0.694904D+01
      6   0.768184D+01  0.511334D+01 -0.640362D+01  0.710742D+01  0.446354D+01
               111           112           113           114           115 
      1   0.676069D+01  0.633914D+01 -0.136379D+01  0.416983D+00  0.149574D+02
      2  -0.471942D+01 -0.191028D+01  0.416838D+01  0.138916D+01 -0.111077D+02
      3  -0.204127D+01 -0.442887D+01 -0.280459D+01 -0.180614D+01 -0.384975D+01
      4   0.858906D+01  0.133919D+02  0.103604D+02  0.110076D+02  0.197744D+02
      5   0.171262D+02  0.760055D+01  0.953207D+01  0.952977D+01  0.305684D+02
      6   0.639691D+01  0.632801D+01  0.753517D+01  0.915872D+01  0.139805D+02
               116           117           118           119           120 
      1   0.151601D+01  0.671661D+01 -0.104101D+01 -0.253374D-01  0.154076D+01
      2   0.101901D+01 -0.127120D+02 -0.597238D+01  0.963608D+00  0.457498D+01
      3  -0.253502D+01  0.599543D+01  0.701339D+01 -0.938270D+00 -0.611574D+01
      4   0.194807D+02  0.200531D+02 -0.182870D+01  0.395795D+01 -0.407975D+00
      5   0.159096D+02  0.364183D+02 -0.949791D+01  0.654065D+00  0.125361D+02
      6   0.129270D+02  0.189168D+02 -0.402444D+00 -0.140728D+01  0.165716D-01
               121           122           123           124           125 
      1   0.564023D+01 -0.426871D+01 -0.239972D+01  0.884253D+01  0.235046D+00
      2  -0.142828D+01 -0.213651D+00 -0.109126D+01  0.614826D+01 -0.303577D+01
      3  -0.421195D+01  0.448236D+01  0.349098D+01 -0.149908D+02  0.280072D+01
      4   0.527803D+01  0.797913D+00 -0.304397D+01 -0.371221D+00 -0.366936D+01
      5   0.190480D+01 -0.308836D+01 -0.185533D+01  0.180724D+02 -0.182943D+01
      6  -0.158593D+01  0.148621D+01  0.675870D+01  0.191322D+01  0.471098D+01
               126           127           128           129           130 
      1  -0.229626D+02 -0.347858D+01  0.774783D+01  0.541140D+01  0.478191D+01
      2  -0.186354D+02  0.326702D+01 -0.100312D+02 -0.501435D+01 -0.566212D+01
      3   0.415979D+02  0.211564D+00  0.228333D+01 -0.397050D+00  0.880209D+00
      4  -0.107316D+01 -0.505105D+01  0.128576D+01  0.302320D+01  0.271904D+01
      5  -0.238958D+02  0.136029D+00 -0.381930D+00 -0.464471D+00 -0.296046D+00
      6  -0.780461D+00  0.618935D+01 -0.404464D+01 -0.605192D+01 -0.274862D+01
               131           132           133           134           135 
      1  -0.116970D+02 -0.443127D+01  0.905271D+01 -0.904284D+01 -0.128988D+02
      2   0.136849D+02  0.439816D+01 -0.630681D+01  0.102925D+02  0.850485D+01
      3  -0.198798D+01  0.331123D-01 -0.274590D+01 -0.124961D+01  0.439398D+01
      4  -0.990734D+00 -0.122269D+01  0.599379D+01 -0.238564D+00 -0.201112D+01
      5   0.424539D+00  0.108727D+01  0.109840D+00  0.182327D+01  0.331546D+01
      6   0.420260D+01  0.829846D+01 -0.522876D+01  0.109286D+02  0.125336D+02
               136           137           138           139           140 
      1  -0.115603D+01  0.376657D+01 -0.626543D+00  0.269948D+01 -0.316776D+02
      2   0.263004D+01 -0.249297D+01 -0.263178D+00 -0.533570D+00  0.420518D+02
      3  -0.147401D+01 -0.127360D+01  0.889722D+00 -0.216591D+01 -0.103742D+02
      4   0.431342D+01  0.726141D+01 -0.282824D+01  0.763383D+01  0.185342D+02
      5  -0.721095D+00 -0.270919D+01  0.344339D+01 -0.203574D+01 -0.831714D+01
      6  -0.310644D+01 -0.421496D+00 -0.611383D+00 -0.775714D+00 -0.263316D+02
               141           142           143           144           145 
      1   0.151956D+02 -0.490388D+00  0.221775D+02 -0.181047D+02 -0.707047D+01
      2  -0.166757D+02 -0.161765D+01 -0.238432D+02  0.130001D+02  0.621052D+01
      3   0.148010D+01  0.210804D+01  0.166567D+01  0.510466D+01  0.859954D+00
      4  -0.859810D+01 -0.441380D+01 -0.131647D+02  0.795630D+01  0.174285D+01
      5   0.543747D+01  0.292614D+01  0.871303D+01 -0.746755D+01 -0.318427D+01
      6   0.187789D+02  0.359625D-01  0.247617D+02 -0.210066D+02 -0.511946D+01
               146           147           148           149           150 
      1  -0.105875D+02  0.615357D+01 -0.829080D+01 -0.223135D+02  0.665103D+01
      2   0.118790D+02 -0.187542D+01  0.976031D+01  0.261043D+02 -0.187516D+01
      3  -0.129152D+01 -0.427815D+01 -0.146951D+01 -0.379072D+01 -0.477587D+01
      4  -0.689256D+00 -0.872897D+00  0.171356D+01 -0.812794D+01  0.248743D+01
      5  -0.423739D+01  0.241177D+01 -0.607552D+01 -0.266849D+01 -0.243142D+01
      6  -0.946371D+01  0.347362D+01 -0.636421D+01 -0.182059D+02  0.912701D+01
               151           152           153           154           155 
      1   0.159020D+01  0.300207D+00 -0.204706D+01 -0.647226D+01  0.291117D+01
      2   0.512231D-01  0.202496D+01  0.785262D+00 -0.202711D+01  0.306099D+01
      3  -0.164142D+01 -0.232517D+01  0.126180D+01  0.849937D+01 -0.597217D+01
      4  -0.106686D+01 -0.607486D+00 -0.516106D+00  0.289774D+01 -0.322577D+01
      5   0.274445D+01 -0.458846D+00  0.653440D-01 -0.242398D+01  0.858676D+00
      6   0.146893D+01  0.491559D+01 -0.152613D+01  0.263340D+01 -0.580025D+01
               156           157           158           159           160 
      1   0.978643D+01  0.478482D+01 -0.916083D+01 -0.998908D+01  0.576785D+01
      2   0.234093D+01  0.124186D+01  0.210031D+01 -0.419120D+01  0.152583D+01
      3  -0.121274D+02 -0.602668D+01  0.706051D+01  0.141803D+02 -0.729368D+01
      4  -0.313741D+01 -0.346464D+01  0.646346D+01  0.396418D+01 -0.318662D+01
      5   0.324432D+01  0.212457D+01 -0.740992D+00  0.354075D+01  0.553073D+01
      6  -0.276130D+01 -0.429784D+01  0.824640D+01  0.539604D+01 -0.327259D+01
               161           162           163           164           165 
      1  -0.597997D+01 -0.978486D+01  0.169938D+02 -0.148920D+01  0.362184D+01
      2  -0.230289D+01 -0.650331D+01 -0.184158D+02  0.300428D+01 -0.159875D+02
      3   0.828285D+01  0.162882D+02  0.142192D+01 -0.151509D+01  0.123657D+02
      4   0.288816D+01  0.336724D+01 -0.130225D+02  0.972274D+01 -0.999611D+01
      5  -0.519623D+00  0.171637D+01  0.335684D+02 -0.100712D+02  0.320298D+02
      6   0.601307D+01  0.428323D+01 -0.804226D+01  0.733826D+01 -0.970807D+01
               166           167           168           169           170 
      1  -0.743138D+00 -0.164784D+01  0.111614D+01  0.428776D+01  0.977470D+00
      2   0.155769D+01  0.402356D+00  0.446141D+00 -0.129734D+02  0.171498D+01
      3  -0.814556D+00  0.124548D+01 -0.156228D+01  0.868560D+01 -0.269245D+01
      4   0.683868D+01 -0.549606D+01  0.671654D+01 -0.804835D+01  0.619017D+01
      5  -0.548254D+01  0.677520D+01 -0.530657D+01  0.251959D+02 -0.807953D+01
      6   0.463344D+01 -0.556177D+01  0.749078D+01 -0.733780D+01  0.738970D+01
               171           172           173           174           175 
      1  -0.251255D+01  0.169474D+02 -0.162810D+01 -0.963218D+01  0.598973D+01
      2  -0.170813D+02 -0.123420D+02  0.606853D+00  0.106732D+02 -0.429293D+01
      3   0.195939D+02 -0.460535D+01  0.102125D+01 -0.104106D+01 -0.169679D+01
      4  -0.831046D+01 -0.510497D+01  0.324587D+01  0.583622D+00  0.102727D+01
      5   0.295764D+02 -0.143867D+02 -0.165467D+01  0.195870D+02 -0.713632D+01
      6  -0.103292D+02  0.252358D+01 -0.881794D-01 -0.531287D+01  0.337803D+00
               176           177           178           179           180 
      1  -0.179710D+01 -0.501151D+01 -0.147530D+02 -0.277941D+01  0.100905D+02
      2   0.183627D+00  0.743236D+01  0.150367D+02  0.525541D+01 -0.245677D+02
      3   0.161347D+01 -0.242085D+01 -0.283637D+00 -0.247600D+01  0.144772D+02
      4   0.385750D+01 -0.461459D+01  0.415282D+01 -0.892613D+01 -0.344194D+01
      5  -0.492016D+01  0.100469D+02  0.274352D+02  0.228677D+00 -0.463950D+02
      6  -0.494507D+00  0.162949D+01 -0.740906D+01  0.490638D+01  0.144283D+02
               181           182           183           184           185 
      1  -0.682323D+01 -0.186092D+02 -0.210188D+01 -0.140222D+02 -0.330586D+02
      2   0.704823D+01  0.204902D+02  0.230284D+01  0.970667D+01  0.453838D+02
      3  -0.224999D+00 -0.188099D+01 -0.200962D+00  0.431551D+01 -0.123252D+02
      4   0.204459D+00 -0.810473D+01 -0.352972D+01  0.541472D+01 -0.310086D+02
      5   0.271430D+01 -0.210606D+01 -0.970841D+00  0.930597D+00 -0.351688D+01
      6   0.784971D+00  0.592986D+01  0.422516D+01  0.211829D+01  0.124733D+02
               186           187           188           189           190 
      1  -0.675243D+01  0.260505D+00 -0.668082D+01 -0.311502D+01  0.647064D+02
      2   0.607568D+01  0.121343D+01  0.502682D+01  0.228668D+01 -0.269987D+02
      3   0.676752D+00 -0.147393D+01  0.165400D+01  0.828333D+00 -0.377077D+02
      4  -0.446883D+01 -0.207791D+01 -0.225155D+01 -0.368428D+01 -0.383644D+02
      5  -0.488277D+01  0.342969D+01 -0.374778D+01 -0.460050D+01  0.155227D+02
      6   0.881098D+01  0.562672D+00  0.798974D+01  0.418104D+01 -0.703453D+01
               191           192           193           194           195 
      1  -0.185127D+02  0.157826D+02 -0.109886D+02  0.482657D+01 -0.404634D+01
      2   0.392581D+01 -0.550422D+01  0.644999D+00  0.405608D+01  0.380073D+00
      3   0.145869D+02 -0.102784D+02  0.103436D+02 -0.888266D+01  0.366626D+01
      4   0.217920D+02 -0.100862D+02  0.178502D+02 -0.147651D+02  0.625029D+01
      5  -0.574276D+01  0.160932D+02 -0.445936D+01  0.451930D+01 -0.211492D+01
      6   0.359417D+01 -0.704933D+01  0.338848D+01 -0.154104D+01  0.325805D+01
               196           197           198           199           200 
      1   0.305729D+02 -0.930602D+01  0.134013D+02  0.107530D+01  0.189380D+00
      2  -0.116308D+02  0.885971D+00 -0.838730D+01 -0.144876D+01  0.220115D+00
      3  -0.189421D+02  0.842005D+01 -0.501402D+01  0.373464D+00 -0.409494D+00
      4  -0.219091D+02  0.160243D+02 -0.921908D+01  0.108569D+01  0.267869D+01
      5   0.189174D+02 -0.621615D+01  0.131874D+02  0.509230D+00  0.148047D+01
      6  -0.809746D+01  0.428671D+01 -0.655501D+01  0.259224D+01  0.552916D+00
               201           202           203           204           205 
      1   0.796138D+00  0.485886D+01 -0.172945D+02 -0.770143D+01  0.191249D+01
      2  -0.533065D+00 -0.303190D+01  0.160085D+02  0.326034D+01 -0.342260D+01
      3  -0.263073D+00 -0.182696D+01  0.128596D+01  0.444110D+01  0.151011D+01
      4   0.105381D+01  0.209051D+01  0.506088D+01  0.185391D+01  0.179642D+01
      5   0.164687D+01  0.120590D+01  0.265154D+01  0.231864D+01  0.192328D+01
      6   0.754679D+00 -0.609261D+00  0.114548D+02  0.743185D+01  0.206398D+01
               206           207           208           209           210 
      1  -0.530311D+01 -0.249497D+01  0.125026D+01 -0.414425D+01 -0.150420D+01
      2   0.247549D+01  0.131672D+01  0.108773D+01  0.248583D+01  0.703206D+00
      3   0.282763D+01  0.117825D+01 -0.233800D+01  0.165842D+01  0.800996D+00
      4   0.579952D+00  0.130920D+01 -0.363884D+01  0.357707D+01  0.137367D+01
      5   0.204523D+01  0.100427D+01 -0.212850D+01  0.102795D+01  0.648742D+00
      6   0.523606D+01  0.409905D+01  0.750532D+00 -0.100998D+01 -0.713247D-01
               211           212           213           214           215 
      1  -0.361023D+01 -0.144855D+02 -0.216568D+01 -0.281630D+01 -0.238943D+01
      2   0.671529D+00  0.208842D+02  0.260146D+01 -0.388683D+00  0.378785D+01
      3   0.293870D+01 -0.639871D+01 -0.435781D+00  0.320498D+01 -0.139841D+01
      4   0.590679D+01 -0.171908D+02 -0.330745D+01  0.368157D+01 -0.460962D+01
      5   0.168255D+01 -0.252464D+01 -0.233909D+01 -0.204887D+01 -0.151501D+01
      6  -0.117979D+01  0.127388D+01  0.401904D+01  0.203747D+01  0.236450D+01
               216           217           218           219           220 
      1  -0.287924D+01  0.156690D+02 -0.595572D+01  0.588133D+01 -0.202043D+02
      2   0.227013D+01 -0.536770D+01  0.109648D+01 -0.224467D+01  0.486781D+01
      3   0.609106D+00 -0.103013D+02  0.485924D+01 -0.363666D+01  0.153365D+02
      4  -0.214122D+01 -0.724185D+01  0.100082D+02 -0.640165D+01  0.297784D+02
      5  -0.103126D+01  0.668398D+01 -0.571998D+01  0.414568D+01 -0.555586D+01
      6   0.154219D+01 -0.296166D+01  0.908778D+00 -0.478643D+00  0.299789D+01
               221           222           223           224           225 
      1   0.851715D+01 -0.649483D+00  0.190042D+02 -0.644417D+01  0.107018D+01
      2   0.106482D+02 -0.475195D+01 -0.697548D+01 -0.348105D+01 -0.555189D-01
      3  -0.191654D+02  0.540144D+01 -0.120287D+02  0.992522D+01 -0.101466D+01
      4  -0.512897D+02  0.151053D+02 -0.175412D+02  0.264425D+02 -0.187507D+02
      5   0.163181D+02 -0.198036D+02  0.122002D+02 -0.200749D+02  0.165717D+02
      6  -0.711952D+01  0.745610D+01 -0.440352D+01  0.922265D+01 -0.656660D+01
               226           227           228           229           230 
      1   0.854245D+00 -0.540659D+00 -0.851001D+01 -0.716169D+01 -0.100804D+01
      2  -0.144151D+01 -0.325812D-01  0.211075D+01  0.336144D+01  0.168782D+01
      3   0.587261D+00  0.573241D+00  0.639925D+01  0.380025D+01 -0.679777D+00
      4   0.328364D+01 -0.173551D+01 -0.233653D+01  0.115958D+02 -0.192325D+02
      5  -0.205209D+01 -0.300818D+01 -0.306991D+01  0.290093D+01 -0.115488D+02
      6   0.174047D+01  0.234672D+01  0.226010D+01 -0.146224D+01  0.729989D+01
               231           232           233           234           235 
      1  -0.583198D+01 -0.188304D+02 -0.578669D+01 -0.125548D+02  0.990169D+02
      2   0.136328D+01  0.125722D+02 -0.192387D+00 -0.892575D+01 -0.530038D+02
      3   0.446870D+01  0.625826D+01  0.597908D+01  0.214806D+02 -0.460131D+02
      4  -0.116786D+02  0.711146D+01 -0.155050D+02 -0.203243D+02  0.159112D+02
      5  -0.179992D+02  0.156653D+02 -0.219158D+02 -0.512288D+02 -0.122502D+02
      6   0.103206D+02 -0.375268D+01  0.122110D+02  0.169083D+02 -0.264922D+01
               236           237           238           239           240 
      1   0.202119D+02 -0.695688D+01  0.468600D+02  0.166219D+02 -0.492354D+01
      2  -0.120493D+02  0.514769D+01 -0.253979D+02 -0.754489D+01  0.293234D+01
      3  -0.816265D+01  0.180919D+01 -0.214621D+02 -0.907703D+01  0.199121D+01
      4   0.160724D+02 -0.254745D+01  0.195134D+02  0.141629D+02 -0.103695D+01
      5  -0.362876D+01  0.141770D+02 -0.761255D+01 -0.163805D+01  0.702399D+01
      6  -0.170092D+01 -0.352719D-01 -0.250631D+01 -0.236318D+01  0.201914D+01
               241           242           243 
      1  -0.235470D+01 -0.224269D+01  0.843658D+01
      2   0.264547D+01  0.807838D+00 -0.610250D+01
      3  -0.290769D+00  0.143485D+01 -0.233408D+01
      4  -0.203049D+01  0.675674D+00  0.961491D+00
      5   0.137226D+02  0.143073D+01 -0.538368D+01
      6   0.486284D+00  0.254350D+01  0.431434D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 00:10:19 2021, MaxMem=  5368709120 cpu:           51527.5 elap:            6443.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25080 -10.38379 -10.31605 -10.31307 -10.30671
 Alpha  occ. eigenvalues --  -10.29827 -10.29675 -10.29643 -10.29307 -10.28659
 Alpha  occ. eigenvalues --  -10.28553  -1.14094  -0.97439  -0.89807  -0.85203
 Alpha  occ. eigenvalues --   -0.84256  -0.79077  -0.77833  -0.71590  -0.68849
 Alpha  occ. eigenvalues --   -0.62718  -0.60844  -0.58169  -0.56347  -0.55456
 Alpha  occ. eigenvalues --   -0.53472  -0.52834  -0.51753  -0.50668  -0.49654
 Alpha  occ. eigenvalues --   -0.47654  -0.47603  -0.46967  -0.45498  -0.44667
 Alpha  occ. eigenvalues --   -0.43986  -0.41642  -0.40383  -0.39370  -0.37874
 Alpha  occ. eigenvalues --   -0.33963  -0.33120
 Alpha virt. eigenvalues --    0.01365   0.03345   0.03881   0.04339   0.04716
 Alpha virt. eigenvalues --    0.05598   0.05930   0.06108   0.06561   0.06791
 Alpha virt. eigenvalues --    0.07727   0.08044   0.08432   0.09226   0.09662
 Alpha virt. eigenvalues --    0.09786   0.10499   0.11425   0.12361   0.12565
 Alpha virt. eigenvalues --    0.12897   0.13455   0.13489   0.13727   0.14298
 Alpha virt. eigenvalues --    0.14858   0.15120   0.15475   0.15681   0.16117
 Alpha virt. eigenvalues --    0.16350   0.16595   0.17094   0.17339   0.17742
 Alpha virt. eigenvalues --    0.17960   0.18476   0.19196   0.19551   0.19758
 Alpha virt. eigenvalues --    0.19942   0.20201   0.20624   0.21157   0.21397
 Alpha virt. eigenvalues --    0.21555   0.22371   0.22668   0.23138   0.23528
 Alpha virt. eigenvalues --    0.24062   0.24979   0.25361   0.25771   0.25949
 Alpha virt. eigenvalues --    0.26352   0.27059   0.27954   0.28607   0.28901
 Alpha virt. eigenvalues --    0.29282   0.29700   0.30063   0.31013   0.31502
 Alpha virt. eigenvalues --    0.32009   0.32239   0.32311   0.33182   0.33691
 Alpha virt. eigenvalues --    0.34125   0.34885   0.35080   0.36351   0.36381
 Alpha virt. eigenvalues --    0.36993   0.37288   0.37562   0.38239   0.39028
 Alpha virt. eigenvalues --    0.39243   0.40096   0.40280   0.41064   0.41607
 Alpha virt. eigenvalues --    0.41978   0.42785   0.43003   0.43457   0.44037
 Alpha virt. eigenvalues --    0.44468   0.44803   0.45195   0.45413   0.46173
 Alpha virt. eigenvalues --    0.46772   0.47019   0.47654   0.48456   0.48800
 Alpha virt. eigenvalues --    0.49339   0.49922   0.50329   0.50680   0.51039
 Alpha virt. eigenvalues --    0.51833   0.52749   0.53183   0.53556   0.53952
 Alpha virt. eigenvalues --    0.54503   0.55658   0.56525   0.56806   0.57324
 Alpha virt. eigenvalues --    0.57570   0.58375   0.59457   0.59997   0.60455
 Alpha virt. eigenvalues --    0.61109   0.61327   0.61452   0.62188   0.62516
 Alpha virt. eigenvalues --    0.62898   0.63545   0.64029   0.64361   0.64656
 Alpha virt. eigenvalues --    0.65049   0.65100   0.65957   0.66466   0.66619
 Alpha virt. eigenvalues --    0.67557   0.68534   0.69173   0.70198   0.70434
 Alpha virt. eigenvalues --    0.70812   0.71375   0.72152   0.72216   0.72570
 Alpha virt. eigenvalues --    0.73495   0.73906   0.74349   0.74826   0.75422
 Alpha virt. eigenvalues --    0.76132   0.76529   0.77062   0.77320   0.78210
 Alpha virt. eigenvalues --    0.79021   0.79456   0.79892   0.80433   0.81124
 Alpha virt. eigenvalues --    0.81642   0.82168   0.82730   0.82987   0.83740
 Alpha virt. eigenvalues --    0.84609   0.85903   0.86657   0.87250   0.87579
 Alpha virt. eigenvalues --    0.87961   0.89359   0.89777   0.90453   0.91269
 Alpha virt. eigenvalues --    0.91820   0.92775   0.94221   0.94842   0.95414
 Alpha virt. eigenvalues --    0.96921   0.97763   0.98338   0.99724   1.00067
 Alpha virt. eigenvalues --    1.01743   1.02255   1.03289   1.04336   1.06094
 Alpha virt. eigenvalues --    1.06593   1.07104   1.07922   1.09627   1.10619
 Alpha virt. eigenvalues --    1.11534   1.12153   1.12551   1.13160   1.14954
 Alpha virt. eigenvalues --    1.16174   1.17266   1.19811   1.20012   1.21760
 Alpha virt. eigenvalues --    1.21959   1.24909   1.26187   1.27733   1.29124
 Alpha virt. eigenvalues --    1.30207   1.31575   1.32356   1.32936   1.34020
 Alpha virt. eigenvalues --    1.35641   1.37932   1.40494   1.41226   1.42078
 Alpha virt. eigenvalues --    1.44579   1.45648   1.46547   1.47595   1.49456
 Alpha virt. eigenvalues --    1.51887   1.53051   1.54430   1.55623   1.56565
 Alpha virt. eigenvalues --    1.57087   1.58669   1.58995   1.59740   1.61511
 Alpha virt. eigenvalues --    1.62450   1.63782   1.64721   1.66069   1.66595
 Alpha virt. eigenvalues --    1.67483   1.69013   1.69979   1.70187   1.72095
 Alpha virt. eigenvalues --    1.72441   1.73455   1.74349   1.75393   1.76952
 Alpha virt. eigenvalues --    1.77191   1.78177   1.80087   1.80642   1.81917
 Alpha virt. eigenvalues --    1.84107   1.85211   1.85274   1.85538   1.86973
 Alpha virt. eigenvalues --    1.88295   1.89052   1.89594   1.90617   1.91440
 Alpha virt. eigenvalues --    1.92204   1.94371   1.95245   1.97457   1.98857
 Alpha virt. eigenvalues --    2.00351   2.01923   2.03078   2.03821   2.04808
 Alpha virt. eigenvalues --    2.06051   2.07979   2.08279   2.09695   2.10380
 Alpha virt. eigenvalues --    2.12567   2.13080   2.13624   2.15011   2.15753
 Alpha virt. eigenvalues --    2.16898   2.18148   2.18519   2.20201   2.20861
 Alpha virt. eigenvalues --    2.21826   2.23327   2.24835   2.25820   2.26273
 Alpha virt. eigenvalues --    2.28113   2.28877   2.29543   2.31267   2.32166
 Alpha virt. eigenvalues --    2.33263   2.35259   2.36451   2.37658   2.39731
 Alpha virt. eigenvalues --    2.41136   2.42785   2.43908   2.45353   2.47182
 Alpha virt. eigenvalues --    2.48703   2.49280   2.51594   2.53325   2.54241
 Alpha virt. eigenvalues --    2.56467   2.57645   2.58350   2.60282   2.61188
 Alpha virt. eigenvalues --    2.62882   2.65097   2.66827   2.68189   2.68913
 Alpha virt. eigenvalues --    2.69599   2.72136   2.73395   2.74051   2.74597
 Alpha virt. eigenvalues --    2.77180   2.81051   2.83493   2.85165   2.86240
 Alpha virt. eigenvalues --    2.91822   2.94526   2.95430   2.97131   3.02910
 Alpha virt. eigenvalues --    3.10251   3.12461   3.14174   3.18490   3.28937
 Alpha virt. eigenvalues --    3.36585   3.44080   3.50862   3.53380   3.61918
 Alpha virt. eigenvalues --    3.68011   3.79688   3.92435   4.02642   5.15564
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.508506  -0.259168  -0.021450  -0.615690   0.218004  -0.005688
     2  C   -0.259168   9.558070  -3.445054   1.930323  -0.670011   0.066102
     3  C   -0.021450  -3.445054  18.102239  -6.395355   0.104652  -0.724606
     4  C   -0.615690   1.930323  -6.395355  18.183969  -5.130499  -0.791578
     5  C    0.218004  -0.670011   0.104652  -5.130499  13.171389  -1.490474
     6  C   -0.005688   0.066102  -0.724606  -0.791578  -1.490474   8.305623
     7  O   -0.002441   0.008112  -0.037701   0.063308  -0.073786   0.323190
     8  C   -0.275083  -0.111229  -0.142618  -0.107591  -0.054120   0.015154
     9  C   -0.354207  -1.377276   1.497692  -0.491203   0.032118  -0.042737
    10  C    0.089269   0.994808  -1.853784   0.171078  -0.632295  -0.063382
    11  C    0.009079  -0.018033   0.077102  -0.383197   0.150961   0.130490
    12  H    0.098731   0.280569  -0.097831   0.031109   0.045660   0.004003
    13  H   -0.030493  -0.135014   0.244876  -0.040327  -0.011627  -0.002713
    14  H    0.134827   0.573145  -2.196436   0.513028   0.215500  -0.025682
    15  H    0.099467   0.273395  -0.212672  -0.405719   0.125886  -0.014253
    16  H   -0.075109  -0.233414   0.455332   0.368249  -0.003969   0.013569
    17  H    0.190000   0.009682  -0.307243  -0.073132   0.139630  -0.004354
    18  H   -0.034976   0.592732  -0.018237  -0.075671  -0.003464  -0.020198
    19  H    0.233846  -0.243533   0.206955   0.015043   0.022121   0.013771
    20  H   -0.041813   0.376419  -0.311866   0.171290   0.000508   0.005486
    21  H   -0.028384   0.100319   0.009539  -0.026270  -0.026724  -0.008058
    22  H    0.049851  -0.230078   0.216483  -0.081496   0.008735  -0.000032
    23  H    0.002185  -0.261166   0.604320  -2.064196   0.380788   0.066919
    24  H    0.007168   0.139814  -0.769607   0.378385  -1.777936   0.342826
    25  H   -0.001461   0.000088  -0.006695   0.016013  -0.108358   0.020430
    26  H    0.000419   0.001406   0.002819  -0.012735  -0.059002   0.009492
    27  H    0.000839  -0.001749   0.001834  -0.017086   0.249435  -0.051703
               7          8          9         10         11         12
     1  C   -0.002441  -0.275083  -0.354207   0.089269   0.009079   0.098731
     2  C    0.008112  -0.111229  -1.377276   0.994808  -0.018033   0.280569
     3  C   -0.037701  -0.142618   1.497692  -1.853784   0.077102  -0.097831
     4  C    0.063308  -0.107591  -0.491203   0.171078  -0.383197   0.031109
     5  C   -0.073786  -0.054120   0.032118  -0.632295   0.150961   0.045660
     6  C    0.323190   0.015154  -0.042737  -0.063382   0.130490   0.004003
     7  O    8.476506  -0.002122   0.000549   0.005608  -0.078521  -0.000026
     8  C   -0.002122   5.496672  -0.222197  -0.004401  -0.000870  -0.220469
     9  C    0.000549  -0.222197   7.434509  -0.780578  -0.004672  -0.492241
    10  C    0.005608  -0.004401  -0.780578   7.595717  -0.043776   0.018803
    11  C   -0.078521  -0.000870  -0.004672  -0.043776   4.985755   0.000123
    12  H   -0.000026  -0.220469  -0.492241   0.018803   0.000123   2.485906
    13  H    0.000045   0.099875  -0.323130   0.081367  -0.000070  -0.647187
    14  H    0.004587  -0.039976  -0.409900   0.184660   0.002531   0.031423
    15  H   -0.000157   0.030240  -0.175107  -0.378043   0.005056   0.206052
    16  H    0.000378   0.020169   0.181778  -0.586636  -0.002472  -0.214166
    17  H   -0.003073  -0.040783   0.008953   0.124334   0.002995  -0.005247
    18  H   -0.000204  -0.034137  -0.151075  -0.050750  -0.007827   0.011204
    19  H    0.000266   0.055973   0.019872  -0.111730   0.001688   0.032764
    20  H   -0.000189  -0.005229  -0.098897   0.129450   0.000297  -0.020624
    21  H   -0.000255   0.385545  -0.081142  -0.003656   0.000174  -0.005702
    22  H    0.000021   0.115980   0.157276  -0.057862  -0.000415  -0.025951
    23  H   -0.053500  -0.000439   0.128489  -0.096222   0.006286   0.008889
    24  H   -0.053970   0.018533  -0.059485   0.284719  -0.223085  -0.000222
    25  H    0.017791  -0.000269  -0.000163  -0.007284   0.426815   0.000247
    26  H    0.020148  -0.000230  -0.000371  -0.011902   0.393612  -0.000169
    27  H   -0.009593   0.000309  -0.000219   0.004670   0.044857  -0.000018
              13         14         15         16         17         18
     1  C   -0.030493   0.134827   0.099467  -0.075109   0.190000  -0.034976
     2  C   -0.135014   0.573145   0.273395  -0.233414   0.009682   0.592732
     3  C    0.244876  -2.196436  -0.212672   0.455332  -0.307243  -0.018237
     4  C   -0.040327   0.513028  -0.405719   0.368249  -0.073132  -0.075671
     5  C   -0.011627   0.215500   0.125886  -0.003969   0.139630  -0.003464
     6  C   -0.002713  -0.025682  -0.014253   0.013569  -0.004354  -0.020198
     7  O    0.000045   0.004587  -0.000157   0.000378  -0.003073  -0.000204
     8  C    0.099875  -0.039976   0.030240   0.020169  -0.040783  -0.034137
     9  C   -0.323130  -0.409900  -0.175107   0.181778   0.008953  -0.151075
    10  C    0.081367   0.184660  -0.378043  -0.586636   0.124334  -0.050750
    11  C   -0.000070   0.002531   0.005056  -0.002472   0.002995  -0.007827
    12  H   -0.647187   0.031423   0.206052  -0.214166  -0.005247   0.011204
    13  H    2.415957  -0.005636  -0.289829   0.146045   0.019553  -0.024253
    14  H   -0.005636   2.727801   0.157881  -0.193914   0.011913   0.011488
    15  H   -0.289829   0.157881   2.893032  -0.640829   0.002213   0.011004
    16  H    0.146045  -0.193914  -0.640829   2.208810   0.003928  -0.011608
    17  H    0.019553   0.011913   0.002213   0.003928   1.994488  -0.437488
    18  H   -0.024253   0.011488   0.011004  -0.011608  -0.437488   1.899283
    19  H   -0.055010   0.008337   0.010195  -0.006814  -0.506851  -0.456663
    20  H    0.010301  -0.049903   0.004130   0.011165   0.012947  -0.027556
    21  H    0.000213  -0.006517   0.002324  -0.002546  -0.051632   0.016716
    22  H    0.023160   0.024020  -0.009991   0.002806   0.020089   0.007080
    23  H   -0.003493  -0.107711  -0.014038   0.006585   0.034107  -0.010230
    24  H    0.002151  -0.028346  -0.059008   0.003213   0.010673  -0.030750
    25  H   -0.000236   0.001154   0.002959  -0.000575  -0.000062   0.000070
    26  H    0.000007   0.000390  -0.004218   0.000875  -0.001082   0.000852
    27  H    0.000074  -0.000467   0.000767   0.000191   0.001182  -0.000940
              19         20         21         22         23         24
     1  C    0.233846  -0.041813  -0.028384   0.049851   0.002185   0.007168
     2  C   -0.243533   0.376419   0.100319  -0.230078  -0.261166   0.139814
     3  C    0.206955  -0.311866   0.009539   0.216483   0.604320  -0.769607
     4  C    0.015043   0.171290  -0.026270  -0.081496  -2.064196   0.378385
     5  C    0.022121   0.000508  -0.026724   0.008735   0.380788  -1.777936
     6  C    0.013771   0.005486  -0.008058  -0.000032   0.066919   0.342826
     7  O    0.000266  -0.000189  -0.000255   0.000021  -0.053500  -0.053970
     8  C    0.055973  -0.005229   0.385545   0.115980  -0.000439   0.018533
     9  C    0.019872  -0.098897  -0.081142   0.157276   0.128489  -0.059485
    10  C   -0.111730   0.129450  -0.003656  -0.057862  -0.096222   0.284719
    11  C    0.001688   0.000297   0.000174  -0.000415   0.006286  -0.223085
    12  H    0.032764  -0.020624  -0.005702  -0.025951   0.008889  -0.000222
    13  H   -0.055010   0.010301   0.000213   0.023160  -0.003493   0.002151
    14  H    0.008337  -0.049903  -0.006517   0.024020  -0.107711  -0.028346
    15  H    0.010195   0.004130   0.002324  -0.009991  -0.014038  -0.059008
    16  H   -0.006814   0.011165  -0.002546   0.002806   0.006585   0.003213
    17  H   -0.506851   0.012947  -0.051632   0.020089   0.034107   0.010673
    18  H   -0.456663  -0.027556   0.016716   0.007080  -0.010230  -0.030750
    19  H    1.957299   0.016223   0.005093  -0.017605   0.000777   0.006017
    20  H    0.016223   1.822186  -0.389590  -0.388846   0.023805   0.004425
    21  H    0.005093  -0.389590   1.519985  -0.297310  -0.036703  -0.003756
    22  H   -0.017605  -0.388846  -0.297310   1.584824  -0.006248   0.002400
    23  H    0.000777   0.023805  -0.036703  -0.006248   3.088793   0.201982
    24  H    0.006017   0.004425  -0.003756   0.002400   0.201982   3.753271
    25  H   -0.000124  -0.000008   0.000050  -0.000052  -0.008259  -0.069968
    26  H    0.000228   0.000010  -0.000077  -0.000005  -0.005683  -0.069426
    27  H    0.000099   0.000049  -0.000093   0.000017   0.008331   0.015738
              25         26         27
     1  C   -0.001461   0.000419   0.000839
     2  C    0.000088   0.001406  -0.001749
     3  C   -0.006695   0.002819   0.001834
     4  C    0.016013  -0.012735  -0.017086
     5  C   -0.108358  -0.059002   0.249435
     6  C    0.020430   0.009492  -0.051703
     7  O    0.017791   0.020148  -0.009593
     8  C   -0.000269  -0.000230   0.000309
     9  C   -0.000163  -0.000371  -0.000219
    10  C   -0.007284  -0.011902   0.004670
    11  C    0.426815   0.393612   0.044857
    12  H    0.000247  -0.000169  -0.000018
    13  H   -0.000236   0.000007   0.000074
    14  H    0.001154   0.000390  -0.000467
    15  H    0.002959  -0.004218   0.000767
    16  H   -0.000575   0.000875   0.000191
    17  H   -0.000062  -0.001082   0.001182
    18  H    0.000070   0.000852  -0.000940
    19  H   -0.000124   0.000228   0.000099
    20  H   -0.000008   0.000010   0.000049
    21  H    0.000050  -0.000077  -0.000093
    22  H   -0.000052  -0.000005   0.000017
    23  H   -0.008259  -0.005683   0.008331
    24  H   -0.069968  -0.069426   0.015738
    25  H    1.062439  -0.136281  -0.192764
    26  H   -0.136281   1.083666  -0.191514
    27  H   -0.192764  -0.191514   1.351452
 Mulliken charges:
               1
     1  C    1.103770
     2  C   -1.919258
     3  C    1.017313
     4  C    0.869950
     5  C    1.176880
     6  C   -0.071597
     7  O   -0.604971
     8  C    1.023312
     9  C    1.603367
    10  C    0.997820
    11  C    0.525118
    12  H   -0.525630
    13  H   -0.474605
    14  H   -0.538199
    15  H   -0.620738
    16  H   -0.451041
    17  H   -0.155740
    18  H   -0.154401
    19  H   -0.208235
    20  H   -0.254170
    21  H   -0.071545
    22  H   -0.096851
    23  H   -0.894367
    24  H   -1.025757
    25  H   -0.015498
    26  H   -0.021229
    27  H   -0.213698
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.585393
     2  C   -1.919258
     3  C    0.479114
     4  C   -0.024417
     5  C    0.151123
     6  C   -0.071597
     7  O   -0.604971
     8  C    0.600746
     9  C    0.603132
    10  C   -0.073959
    11  C    0.274692
 Electronic spatial extent (au):  <R**2>=           2456.5129
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.8803    Y=              2.5580    Z=              0.4873  Tot=              3.2118
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -70.3526   YY=            -71.8355   ZZ=            -68.2138
   XY=             -9.1753   XZ=             -3.0879   YZ=             -0.3601
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.2187   YY=             -1.7015   ZZ=              1.9202
   XY=             -9.1753   XZ=             -3.0879   YZ=             -0.3601
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -7.3919  YYY=              1.9463  ZZZ=             -1.1564  XYY=              7.0782
  XXY=             27.3773  XXZ=              8.3509  XZZ=             -0.9726  YZZ=              0.1864
  YYZ=              0.6312  XYZ=              1.1743
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2478.6529 YYYY=           -541.5357 ZZZZ=           -301.6888 XXXY=            -78.2621
 XXXZ=            -22.0458 YYYX=            -11.0442 YYYZ=             -1.8871 ZZZX=             -4.4145
 ZZZY=              4.1703 XXYY=           -551.5925 XXZZ=           -458.8742 YYZZ=           -137.7308
 XXYZ=            -15.3985 YYXZ=             -3.0512 ZZXY=              4.5481
 N-N= 6.110292542079D+02 E-N=-2.303574269727D+03  KE= 4.628710958933D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 00:10:20 2021, MaxMem=  5368709120 cpu:               4.4 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.53203215D-01 9.76112432D-01 1.78417530D-01
 Polarizability= 1.57753060D+02-3.27875141D+00 1.14652483D+02
                -5.16231534D+00 2.28516577D+00 9.73254217D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.7880    2.7875       -1.6617   -1.6626
 2     -2.7880   -2.7875       -1.1141   -1.1144      -24.0419  -24.0380
 3      1.6617    1.6626       32.7433   32.7351        1.1135    1.1144
 4      1.1141    1.1144        0.0000    0.0000        1.6619    1.6626
 5     -8.7014   -8.6972       -1.6619   -1.6626        2.7873    2.7875
 6     -1.1135   -1.1144       -2.7873   -2.7875       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -8.3624   -8.3624       -4.9879   -4.9879
 2      3.3432    3.3432        0.0000    0.0000       -4.9879   -4.9879
 3      3.3432    3.3432       -8.3624   -8.3624       -0.0000    0.0000
 4     -8.3624   -8.3624       -3.3432   -3.3432      -72.1139  -72.1139
 5      4.9879    4.9879       98.2054   98.2054        3.3432    3.3432
 6    -26.0915  -26.0915       -4.9879   -4.9879        8.3624    8.3624
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2340    0.0000       -9.5572  -11.1499        5.9878    6.6505
 2     11.1096   11.1499        4.9155    4.4576       95.6391   96.1519
 3     -6.5669   -6.6505     -130.9118 -130.9406       -4.8372   -4.4576
 4     -4.4369   -4.4576        0.0310    0.0000       -6.6202   -6.6505
 5     34.7598   34.7886        6.6635    6.6505      -11.0424  -11.1499
 6      4.4198    4.4576       11.1743   11.1499       -0.0389    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0774    0.0000       15.7311   15.8264      -41.0945  -41.2820
 2    -15.0282  -15.8264       19.1137   17.8288       21.4710   20.7507
 3     40.7144   41.2820       27.5653   25.7428      -19.1492  -17.8288
 4    -17.4562  -17.8288        0.3606    0.0000       41.0784   41.2820
 5    -46.3292  -46.4936      -40.8086  -41.2820       15.3645   15.8264
 6     17.8214   17.8288      -15.7151  -15.8264       -0.0377    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -34.8926  -35.0260        6.8565    6.9313       33.6146   33.6744
 2    -53.7035  -53.8284        7.9381    7.6652       33.3517   33.6744
 3    -53.5898  -53.8284        7.2008    6.9313       53.9671   54.3819
 4     -0.4318   -0.7339       19.3904   18.8023       36.7761   36.7003
 5     20.2683   20.7075       47.2698   46.4081      -19.5552  -18.8023
 6    -82.4623  -83.1084      -20.8572  -20.7075        1.1688    0.7339
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.4119   -2.6292   -0.0003   -0.0001    0.0004    2.7054
 Low frequencies ---   34.3208   71.7474   83.5721
 Diagonal vibrational polarizability:
       22.6689464       8.5513366      79.6013259
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.3092                71.7449                83.5719
 Red. masses --      3.4219                 4.0592                 2.9550
 Frc consts  --      0.0024                 0.0123                 0.0122
 IR Inten    --      3.6320                 1.0936                 0.7133
 RamAct Fr= 1--      1.1680                 0.8813                 0.1777
  Dep-P Fr= 1--      0.7482                 0.6600                 0.5614
  Dep-U Fr= 1--      0.8560                 0.7952                 0.7191
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0006
 Beta2  Fr= 1--      0.1666                 0.1168                 0.0213
 AlphaG Fr= 1--     -0.0001                -0.0152                 0.0015
 Gamma2 Fr= 1--      0.8182                 0.0693                -0.2167
 Delta2 Fr= 1--      0.4519                 0.2512                -0.1105
 Raman1 Fr= 1--       4.672                  3.525                  0.711
 ROA1   Fr= 1--      93.007                 14.688                -24.336
 CID1   Fr= 1--      19.908                  4.167                -34.228
 Raman2 Fr= 1--       1.999                  1.402                  0.256
 ROA2   Fr= 1--      16.021                 -0.347                 -4.315
 CID2   Fr= 1--       8.013                 -0.248                -16.881
 Raman3 Fr= 1--       3.999                  2.803                  0.511
 ROA3   Fr= 1--      93.007                 14.688                -24.336
 CID3   Fr= 1--      23.258                  5.240                -47.600
 RC180  Fr= 1--       0.712                  0.590                  0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.10   0.03     0.25   0.04   0.08    -0.04  -0.12  -0.04
     2   6    -0.03   0.01   0.03     0.08   0.01   0.01     0.01  -0.00   0.01
     3   6     0.02  -0.01  -0.05    -0.03  -0.08   0.10     0.01  -0.08  -0.05
     4   6     0.01   0.01  -0.08    -0.02  -0.11   0.15     0.01  -0.09  -0.05
     5   6     0.03  -0.01  -0.00    -0.03  -0.06   0.05     0.02  -0.04  -0.09
     6   6     0.02  -0.01  -0.01    -0.08   0.02  -0.06     0.00   0.03   0.01
     7   8    -0.02   0.04  -0.22    -0.17   0.07  -0.19    -0.09   0.03   0.05
     8   6    -0.03  -0.04   0.12     0.08   0.03  -0.03     0.17   0.12   0.02
     9   6    -0.00   0.00  -0.03     0.01   0.04  -0.11    -0.11   0.05   0.10
    10   6     0.02   0.00  -0.10    -0.07  -0.05   0.03    -0.09  -0.04  -0.07
    11   6     0.09  -0.08   0.27    -0.03   0.06  -0.01     0.09   0.11   0.07
    12   1     0.02  -0.05  -0.01    -0.08   0.05  -0.20    -0.01   0.12   0.22
    13   1    -0.02   0.04  -0.03     0.11   0.10  -0.16    -0.28   0.06   0.16
    14   1     0.06  -0.06  -0.03    -0.10  -0.08   0.08     0.03  -0.10  -0.04
    15   1     0.00   0.05  -0.13     0.00  -0.08   0.09    -0.19  -0.03  -0.15
    16   1     0.06  -0.03  -0.13    -0.20  -0.06   0.02    -0.04  -0.08  -0.10
    17   1    -0.11   0.11   0.06     0.29   0.00   0.18     0.06  -0.18  -0.13
    18   1    -0.09   0.14  -0.03     0.25   0.02   0.11    -0.16  -0.20  -0.06
    19   1    -0.12   0.12   0.08     0.32   0.11   0.01    -0.07  -0.05   0.01
    20   1     0.02  -0.11   0.12    -0.04   0.01  -0.08     0.21   0.21   0.06
    21   1    -0.04  -0.04   0.16     0.13  -0.01   0.08     0.29   0.06  -0.06
    22   1    -0.06  -0.03   0.17     0.17   0.12  -0.11     0.16   0.20   0.07
    23   1    -0.02   0.03  -0.16    -0.02  -0.12   0.19     0.01  -0.11   0.02
    24   1     0.05  -0.04   0.10    -0.01  -0.05   0.02     0.06  -0.03  -0.16
    25   1     0.05   0.06   0.46     0.09   0.17   0.10     0.09   0.10   0.05
    26   1     0.19  -0.30   0.34    -0.06  -0.10   0.07     0.20   0.14   0.03
    27   1     0.08  -0.08   0.24    -0.09   0.14  -0.15     0.06   0.17   0.17
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.1245               135.9243               160.5915
 Red. masses --      1.1129                 2.3787                 2.6932
 Frc consts  --      0.0087                 0.0259                 0.0409
 IR Inten    --      0.0082                 0.1649                 1.1201
 RamAct Fr= 1--      0.3813                 0.9609                 0.5533
  Dep-P Fr= 1--      0.7497                 0.7125                 0.5825
  Dep-U Fr= 1--      0.8569                 0.8321                 0.7362
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0017
 Beta2  Fr= 1--      0.0545                 0.1333                 0.0679
 AlphaG Fr= 1--      0.0001                 0.0063                -0.0020
 Gamma2 Fr= 1--      0.1124                -0.0760                 0.6715
 Delta2 Fr= 1--      0.0143                 0.1146                 0.0238
 Raman1 Fr= 1--       1.525                  3.844                  2.213
 ROA1   Fr= 1--      11.242                 -3.633                 65.221
 CID1   Fr= 1--       7.372                 -0.945                 29.467
 Raman2 Fr= 1--       0.653                  1.599                  0.815
 ROA2   Fr= 1--       2.583                 -2.741                 15.925
 CID2   Fr= 1--       3.952                 -1.714                 19.547
 Raman3 Fr= 1--       1.307                  3.198                  1.629
 ROA3   Fr= 1--      11.242                 -3.633                 65.221
 CID3   Fr= 1--       8.603                 -1.136                 40.028
 RC180  Fr= 1--       0.714                  0.664                  0.472
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.01    -0.04   0.02  -0.02    -0.01   0.09   0.00
     2   6     0.01  -0.00   0.01    -0.01   0.01  -0.01     0.00   0.02  -0.02
     3   6    -0.00   0.00   0.02     0.00   0.00  -0.04     0.01   0.04  -0.00
     4   6    -0.00   0.00   0.02     0.00  -0.01  -0.07     0.04  -0.06  -0.13
     5   6    -0.02   0.02  -0.05     0.08  -0.11   0.27     0.03  -0.09  -0.12
     6   6    -0.01   0.00  -0.01     0.02  -0.03   0.07     0.02  -0.04  -0.03
     7   8    -0.01   0.01  -0.04    -0.04   0.01  -0.05    -0.07  -0.04   0.06
     8   6    -0.01  -0.01  -0.00     0.02   0.01   0.02    -0.06  -0.05   0.01
     9   6     0.01  -0.00  -0.00    -0.02   0.01  -0.02     0.01   0.02  -0.04
    10   6     0.00  -0.00   0.02    -0.02  -0.00  -0.02    -0.09   0.00   0.21
    11   6    -0.00  -0.02   0.04     0.02   0.06  -0.08     0.12   0.08   0.01
    12   1    -0.00  -0.00  -0.02    -0.02   0.02  -0.02    -0.15   0.06  -0.20
    13   1     0.03  -0.01  -0.01    -0.02   0.02  -0.02     0.19  -0.02  -0.10
    14   1    -0.01   0.01   0.02     0.03   0.02  -0.03     0.10   0.21   0.00
    15   1     0.01  -0.01   0.03    -0.02  -0.02  -0.01    -0.02  -0.24   0.35
    16   1    -0.01   0.00   0.02    -0.03   0.01  -0.01    -0.25   0.16   0.37
    17   1     0.02   0.00   0.02    -0.05   0.03  -0.03    -0.05   0.12   0.04
    18   1     0.03   0.00   0.02    -0.05   0.03  -0.04     0.03   0.14  -0.02
    19   1     0.03   0.00   0.00    -0.06   0.03  -0.00    -0.01   0.08  -0.00
    20   1    -0.02  -0.01  -0.01     0.03  -0.00   0.02    -0.05  -0.10   0.00
    21   1    -0.01  -0.00   0.00     0.03  -0.00   0.03    -0.12  -0.02   0.05
    22   1    -0.00  -0.01  -0.01     0.01   0.04   0.04    -0.07  -0.08   0.02
    23   1     0.01  -0.02   0.08    -0.06   0.08  -0.40     0.10  -0.06  -0.18
    24   1    -0.03   0.03  -0.10     0.16  -0.20   0.57     0.06  -0.10  -0.10
    25   1    -0.37  -0.33  -0.29    -0.02  -0.14  -0.32     0.19   0.10   0.04
    26   1     0.24   0.45  -0.22     0.03   0.34  -0.20     0.21   0.03   0.01
    27   1     0.12  -0.16   0.55     0.03   0.05   0.08     0.06   0.18   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.6012               242.2567               253.6054
 Red. masses --      1.4369                 1.6578                 2.8640
 Frc consts  --      0.0390                 0.0573                 0.1085
 IR Inten    --      0.6236                 2.1284                 0.5178
 RamAct Fr= 1--      0.6887                 0.9180                 3.8612
  Dep-P Fr= 1--      0.6647                 0.3367                 0.2075
  Dep-U Fr= 1--      0.7986                 0.5037                 0.3437
 Alpha2 Fr= 1--      0.0010                 0.0084                 0.0514
 Beta2  Fr= 1--      0.0917                 0.0771                 0.2212
 AlphaG Fr= 1--      0.0080                -0.0084                 0.0144
 Gamma2 Fr= 1--     -0.0617                 0.0053                -0.1247
 Delta2 Fr= 1--     -0.0267                 0.1325                 0.0435
 Raman1 Fr= 1--       2.755                  3.672                 15.445
 ROA1   Fr= 1--      -6.774                  4.746                -10.576
 CID1   Fr= 1--      -2.459                  1.292                 -0.685
 Raman2 Fr= 1--       1.100                  0.925                  2.654
 ROA2   Fr= 1--      -1.267                 -0.933                 -3.340
 CID2   Fr= 1--      -1.152                 -1.009                 -1.259
 Raman3 Fr= 1--       2.200                  1.850                  5.308
 ROA3   Fr= 1--      -6.774                  4.746                -10.576
 CID3   Fr= 1--      -3.079                  2.566                 -1.993
 RC180  Fr= 1--       0.597                  0.007                 -0.313
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01  -0.03     0.01  -0.00  -0.01     0.03  -0.02   0.06
     2   6     0.00  -0.03  -0.02    -0.00  -0.02  -0.02    -0.06   0.00   0.03
     3   6    -0.01  -0.00  -0.02    -0.02  -0.04  -0.02    -0.04  -0.06   0.01
     4   6    -0.03   0.04  -0.04    -0.03   0.01  -0.01     0.01  -0.06   0.03
     5   6    -0.02   0.05  -0.00     0.02   0.07   0.02     0.08   0.04   0.02
     6   6    -0.01   0.03   0.00     0.03   0.06   0.01     0.11   0.04  -0.00
     7   8     0.03   0.02   0.01     0.11   0.05  -0.01     0.18   0.04  -0.05
     8   6     0.11   0.00   0.07     0.04  -0.03   0.04    -0.14  -0.00  -0.06
     9   6     0.01  -0.03  -0.05    -0.04  -0.00  -0.06    -0.13   0.04   0.02
    10   6    -0.02  -0.03   0.05    -0.09  -0.06   0.05    -0.15  -0.03  -0.03
    11   6    -0.05  -0.02   0.01    -0.03  -0.02   0.00     0.11   0.02  -0.02
    12   1    -0.06  -0.04  -0.11    -0.12   0.01  -0.14    -0.11   0.08   0.06
    13   1     0.10  -0.05  -0.08     0.04   0.02  -0.10    -0.19   0.07   0.04
    14   1    -0.01   0.04  -0.02    -0.02  -0.01  -0.02    -0.01  -0.09   0.03
    15   1     0.02  -0.11   0.11    -0.07  -0.18   0.11    -0.19  -0.05  -0.06
    16   1    -0.07   0.03   0.11    -0.20   0.01   0.12    -0.17  -0.06  -0.05
    17   1    -0.11   0.04  -0.06     0.34  -0.21   0.06    -0.15   0.09   0.07
    18   1     0.04   0.03  -0.01    -0.30  -0.16  -0.17     0.23   0.06   0.21
    19   1    -0.05  -0.12  -0.04     0.01   0.38   0.10     0.08  -0.23  -0.07
    20   1    -0.21  -0.19  -0.12     0.31   0.06   0.17    -0.45  -0.10  -0.21
    21   1     0.34  -0.21   0.49    -0.03   0.05  -0.22    -0.13  -0.05   0.21
    22   1     0.33   0.45  -0.07    -0.14  -0.20   0.21     0.06   0.12  -0.29
    23   1    -0.07   0.05  -0.08    -0.11   0.02  -0.02    -0.05  -0.06   0.09
    24   1    -0.00   0.04   0.04     0.06   0.06   0.03     0.12   0.04  -0.03
    25   1    -0.09  -0.02   0.02    -0.08  -0.02   0.01     0.12   0.02  -0.03
    26   1    -0.08  -0.03   0.02    -0.08  -0.02   0.01     0.10   0.03  -0.02
    27   1    -0.02  -0.07  -0.01     0.01  -0.09  -0.03     0.10   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    269.0459               282.2763               353.5180
 Red. masses --      1.5683                 1.5923                 2.2972
 Frc consts  --      0.0669                 0.0748                 0.1692
 IR Inten    --      0.3930                 0.2981                 0.3762
 RamAct Fr= 1--      1.2131                 1.3994                 1.3103
  Dep-P Fr= 1--      0.1022                 0.2066                 0.4464
  Dep-U Fr= 1--      0.1854                 0.3425                 0.6173
 Alpha2 Fr= 1--      0.0211                 0.0187                 0.0081
 Beta2  Fr= 1--      0.0375                 0.0799                 0.1348
 AlphaG Fr= 1--      0.0524                 0.0665                -0.0196
 Gamma2 Fr= 1--      0.7342                -0.7843                -0.3793
 Delta2 Fr= 1--      0.2239                -0.3084                -0.1163
 Raman1 Fr= 1--       4.852                  5.598                  5.241
 ROA1   Fr= 1--      77.644                -85.159                -40.132
 CID1   Fr= 1--      16.001                -15.213                 -7.657
 Raman2 Fr= 1--       0.450                  0.959                  1.618
 ROA2   Fr= 1--      15.829                -16.356                 -8.173
 CID2   Fr= 1--      35.180                -17.062                 -5.052
 Raman3 Fr= 1--       0.900                  1.917                  3.235
 ROA3   Fr= 1--      77.644                -85.159                -40.132
 CID3   Fr= 1--      86.285                -44.418                -12.405
 RC180  Fr= 1--      -0.629                 -0.315                  0.235
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.08    -0.11   0.02  -0.06    -0.04   0.20   0.02
     2   6    -0.02  -0.01   0.03    -0.01   0.01  -0.03     0.02  -0.06  -0.03
     3   6     0.00   0.02  -0.01    -0.00   0.02   0.02     0.02  -0.07  -0.02
     4   6    -0.02   0.05  -0.13     0.04  -0.04   0.14    -0.00  -0.05  -0.01
     5   6    -0.01  -0.00  -0.03     0.01  -0.03   0.03     0.02  -0.00  -0.01
     6   6    -0.01  -0.01  -0.01     0.02  -0.03   0.01    -0.00   0.04   0.01
     7   8    -0.02  -0.01   0.03    -0.00  -0.01  -0.03     0.00   0.04   0.01
     8   6    -0.06  -0.00  -0.02    -0.03  -0.00  -0.03     0.05   0.02  -0.14
     9   6    -0.01  -0.01   0.06     0.02  -0.00  -0.01    -0.00  -0.07   0.11
    10   6     0.03   0.01  -0.03     0.02   0.03   0.02     0.01  -0.09   0.04
    11   6    -0.00  -0.00   0.00     0.05   0.02  -0.01    -0.06  -0.02   0.01
    12   1     0.05  -0.02   0.12     0.01  -0.01  -0.02     0.09   0.05   0.23
    13   1    -0.09  -0.03   0.09     0.04  -0.03  -0.01    -0.14  -0.17   0.20
    14   1     0.08  -0.01   0.02    -0.08   0.04  -0.00     0.00  -0.04  -0.03
    15   1     0.00   0.07  -0.07     0.04   0.05   0.02    -0.04  -0.10   0.01
    16   1     0.09  -0.02  -0.06     0.03   0.02   0.01     0.06  -0.07   0.06
    17   1     0.46  -0.25   0.21     0.20  -0.18  -0.07    -0.16   0.26   0.25
    18   1    -0.18  -0.19  -0.03    -0.46  -0.14  -0.29     0.04   0.40  -0.19
    19   1     0.18   0.40   0.10    -0.19   0.38   0.13    -0.09   0.30   0.10
    20   1    -0.28  -0.08  -0.13    -0.23  -0.10  -0.14    -0.05   0.17  -0.13
    21   1    -0.01  -0.06   0.19     0.03  -0.07   0.20     0.11  -0.00  -0.22
    22   1     0.09   0.13  -0.18     0.11   0.16  -0.15     0.12   0.02  -0.24
    23   1    -0.04   0.08  -0.27     0.11  -0.09   0.30    -0.04  -0.04  -0.01
    24   1     0.00  -0.04   0.10    -0.03   0.01  -0.12     0.07  -0.00  -0.01
    25   1    -0.01   0.01   0.01     0.11   0.01  -0.03    -0.12  -0.02   0.02
    26   1     0.01  -0.01   0.00     0.07   0.03  -0.02    -0.12  -0.03   0.02
    27   1    -0.01   0.00   0.02     0.02   0.07  -0.01    -0.01  -0.11  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    371.8471               402.6948               480.4199
 Red. masses --      2.2530                 2.4838                 2.4451
 Frc consts  --      0.1835                 0.2373                 0.3325
 IR Inten    --      0.2754                 1.2801                 2.0083
 RamAct Fr= 1--      0.4112                 0.4619                 1.2412
  Dep-P Fr= 1--      0.6609                 0.2619                 0.2846
  Dep-U Fr= 1--      0.7958                 0.4151                 0.4431
 Alpha2 Fr= 1--      0.0007                 0.0053                 0.0133
 Beta2  Fr= 1--      0.0545                 0.0319                 0.0917
 AlphaG Fr= 1--     -0.0058                 0.0042                 0.0537
 Gamma2 Fr= 1--      0.1145                 0.3145                 0.3443
 Delta2 Fr= 1--     -0.0053                 0.2111                 0.0812
 Raman1 Fr= 1--       1.645                  1.847                  4.965
 ROA1   Fr= 1--      10.821                 36.951                 35.646
 CID1   Fr= 1--       6.579                 20.001                  7.179
 Raman2 Fr= 1--       0.654                  0.383                  1.100
 ROA2   Fr= 1--       2.790                  5.860                  7.613
 CID2   Fr= 1--       4.262                 15.283                  6.921
 Raman3 Fr= 1--       1.309                  0.767                  2.200
 ROA3   Fr= 1--      10.821                 36.951                 35.646
 CID3   Fr= 1--       8.267                 48.189                 16.202
 RC180  Fr= 1--       0.592                 -0.170                 -0.114
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.02   0.12     0.07   0.06  -0.02    -0.03   0.02  -0.04
     2   6    -0.07  -0.03   0.11    -0.07  -0.06  -0.10     0.17   0.02   0.05
     3   6    -0.04  -0.02   0.07    -0.09   0.04  -0.04     0.04  -0.09   0.09
     4   6    -0.04   0.02  -0.03    -0.08   0.10   0.05    -0.07   0.09  -0.00
     5   6    -0.03   0.01  -0.01    -0.10   0.05   0.04    -0.08   0.07   0.02
     6   6     0.01  -0.03  -0.03    -0.01  -0.09  -0.01    -0.06  -0.03  -0.08
     7   8     0.04  -0.04  -0.00     0.05  -0.09  -0.04     0.03  -0.07   0.02
     8   6     0.02   0.16  -0.07     0.07  -0.04   0.03     0.03  -0.07  -0.05
     9   6     0.04  -0.08  -0.11    -0.06  -0.09   0.05     0.05   0.12   0.01
    10   6     0.05  -0.02  -0.01    -0.00   0.01   0.01    -0.03  -0.08  -0.01
    11   6     0.07   0.03  -0.01     0.13   0.06  -0.01     0.04   0.03   0.00
    12   1    -0.09  -0.31  -0.28     0.02  -0.00   0.14     0.06   0.22   0.05
    13   1     0.27   0.03  -0.24    -0.14  -0.23   0.13    -0.05   0.21   0.02
    14   1     0.03  -0.08   0.10    -0.17   0.07  -0.07     0.00  -0.14   0.08
    15   1     0.14   0.02   0.05    -0.03   0.06  -0.03    -0.04  -0.08  -0.02
    16   1     0.00  -0.04  -0.03     0.11   0.01   0.02    -0.15  -0.13  -0.07
    17   1    -0.09  -0.02   0.11     0.03   0.07   0.20    -0.08   0.06  -0.23
    18   1    -0.10  -0.01   0.09     0.18   0.14  -0.00    -0.13   0.03  -0.18
    19   1    -0.11  -0.02   0.16     0.18   0.13  -0.14    -0.23  -0.05   0.19
    20   1    -0.04   0.46   0.01     0.23  -0.04   0.09    -0.09  -0.13  -0.11
    21   1     0.16   0.10  -0.29     0.18  -0.09  -0.03    -0.15   0.03   0.03
    22   1     0.07   0.16  -0.14    -0.03   0.07   0.21     0.09  -0.23  -0.19
    23   1    -0.07   0.04  -0.10    -0.09   0.08   0.11    -0.23   0.17  -0.21
    24   1    -0.03  -0.01   0.07    -0.21   0.07   0.01    -0.14   0.02   0.25
    25   1     0.12   0.03  -0.01     0.32   0.06  -0.06     0.08   0.08   0.05
    26   1     0.15   0.02  -0.02     0.29   0.07  -0.06     0.25  -0.03  -0.02
    27   1     0.02   0.11   0.04    -0.02   0.31   0.07    -0.04   0.17   0.14
                     16                     17                     18
                      A                      A                      A
 Frequencies --    540.9824               580.2655               595.7584
 Red. masses --      2.6804                 3.3528                 2.5709
 Frc consts  --      0.4622                 0.6651                 0.5376
 IR Inten    --      5.1408                20.7460                 0.4153
 RamAct Fr= 1--      0.4866                 0.3055                 9.1356
  Dep-P Fr= 1--      0.2655                 0.7333                 0.0763
  Dep-U Fr= 1--      0.4196                 0.8462                 0.1417
 Alpha2 Fr= 1--      0.0055                 0.0001                 0.1694
 Beta2  Fr= 1--      0.0340                 0.0431                 0.2158
 AlphaG Fr= 1--      0.0111                 0.0033                 0.0784
 Gamma2 Fr= 1--      0.1399                 0.8471                -0.0843
 Delta2 Fr= 1--      0.1986                -0.0698                -0.4296
 Raman1 Fr= 1--       1.946                  1.222                 36.543
 ROA1   Fr= 1--      19.784                 79.088                -21.844
 CID1   Fr= 1--      10.165                 64.715                 -0.598
 Raman2 Fr= 1--       0.408                  0.517                  2.590
 ROA2   Fr= 1--       1.769                 20.888                  1.413
 CID2   Fr= 1--       4.331                 40.399                  0.546
 Raman3 Fr= 1--       0.817                  1.034                  5.179
 ROA3   Fr= 1--      19.784                 79.088                -21.844
 CID3   Fr= 1--      24.224                 76.481                 -4.217
 RC180  Fr= 1--      -0.161                  0.692                 -0.717
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.07     0.02   0.01  -0.05    -0.03  -0.02   0.06
     2   6     0.01  -0.01   0.05     0.02   0.09   0.01     0.06  -0.08   0.03
     3   6     0.10  -0.01  -0.15    -0.01  -0.06  -0.06    -0.02   0.06   0.10
     4   6     0.06   0.17   0.02    -0.09  -0.09  -0.06    -0.01   0.00  -0.07
     5   6     0.01   0.10   0.01    -0.08  -0.06  -0.05    -0.02  -0.02  -0.08
     6   6     0.05  -0.08   0.13    -0.07  -0.05   0.18     0.02  -0.04   0.18
     7   8    -0.13  -0.02  -0.04     0.15  -0.02  -0.10     0.03   0.02  -0.06
     8   6    -0.01   0.01  -0.02    -0.07   0.10   0.05     0.11  -0.13  -0.07
     9   6    -0.02   0.02  -0.00     0.12   0.02   0.03    -0.07   0.03  -0.02
    10   6    -0.03  -0.09  -0.03     0.09  -0.08   0.01    -0.05   0.12   0.01
    11   6     0.04  -0.05  -0.02    -0.11   0.12   0.07    -0.03   0.02   0.03
    12   1    -0.05  -0.02  -0.04     0.20   0.01   0.11    -0.14   0.06  -0.10
    13   1     0.00   0.11  -0.04     0.00   0.02   0.08     0.03   0.05  -0.07
    14   1     0.15  -0.14  -0.12     0.02  -0.10  -0.05     0.05   0.16   0.11
    15   1    -0.13  -0.47   0.05     0.12  -0.25   0.11    -0.05   0.41  -0.11
    16   1    -0.17   0.14   0.21    -0.02   0.05   0.15     0.09  -0.08  -0.20
    17   1    -0.01  -0.02   0.08     0.07  -0.01  -0.17    -0.10   0.02   0.09
    18   1    -0.00  -0.02   0.08    -0.02  -0.07   0.03    -0.03   0.07  -0.08
    19   1    -0.00  -0.02   0.05     0.03  -0.04  -0.07    -0.12  -0.01   0.19
    20   1    -0.10   0.06  -0.03    -0.08   0.04   0.03     0.08  -0.09  -0.07
    21   1    -0.04   0.03  -0.03    -0.15   0.14   0.10     0.11  -0.13  -0.10
    22   1     0.04  -0.04  -0.11    -0.07   0.06   0.04     0.13  -0.17  -0.11
    23   1     0.04   0.10   0.30    -0.06  -0.12   0.05     0.09  -0.02  -0.02
    24   1    -0.22   0.17  -0.20    -0.02  -0.02  -0.20    -0.00  -0.00  -0.14
    25   1     0.22  -0.15  -0.18     0.24  -0.00  -0.16     0.23  -0.12  -0.20
    26   1    -0.18   0.09  -0.03    -0.24   0.30   0.02    -0.32   0.23   0.01
    27   1     0.01  -0.02  -0.18    -0.26   0.36  -0.05    -0.08   0.10  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    637.7184               742.6419               784.4966
 Red. masses --      3.1989                 2.4958                 1.6854
 Frc consts  --      0.7665                 0.8110                 0.6111
 IR Inten    --      4.8846                 0.4617                 0.9506
 RamAct Fr= 1--     14.9194                 6.5736                 1.1104
  Dep-P Fr= 1--      0.1290                 0.0665                 0.2359
  Dep-U Fr= 1--      0.2286                 0.1248                 0.3817
 Alpha2 Fr= 1--      0.2431                 0.1248                 0.0137
 Beta2  Fr= 1--      0.5684                 0.1367                 0.0706
 AlphaG Fr= 1--     -0.1974                 0.0123                 0.0217
 Gamma2 Fr= 1--     -2.9313                 0.8627                 0.2910
 Delta2 Fr= 1--      1.2186                -0.3218                -0.3834
 Raman1 Fr= 1--      59.677                 26.295                  4.442
 ROA1   Fr= 1--    -242.408                 72.520                 15.669
 CID1   Fr= 1--      -4.062                  2.758                  3.528
 Raman2 Fr= 1--       6.821                  1.640                  0.848
 ROA2   Fr= 1--     -80.100                 23.278                 10.052
 CID2   Fr= 1--     -11.744                 14.192                 11.856
 Raman3 Fr= 1--      13.641                  3.280                  1.696
 ROA3   Fr= 1--    -242.408                 72.520                 15.669
 CID3   Fr= 1--     -17.770                 22.107                  9.241
 RC180  Fr= 1--      -0.543                 -0.750                 -0.237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.11    -0.05  -0.04   0.14     0.02   0.01  -0.00
     2   6     0.00   0.05  -0.02     0.00   0.00  -0.00     0.08   0.04   0.05
     3   6    -0.10  -0.08   0.14    -0.12   0.05  -0.10    -0.03  -0.02  -0.13
     4   6    -0.12  -0.04  -0.04    -0.12  -0.09  -0.01    -0.09  -0.06  -0.02
     5   6    -0.01   0.10  -0.07    -0.04  -0.03   0.04    -0.02   0.00   0.05
     6   6     0.13   0.00   0.10     0.02   0.04  -0.01    -0.01   0.02  -0.01
     7   8    -0.12   0.06   0.01     0.00   0.05   0.01    -0.00   0.02   0.01
     8   6    -0.05   0.07   0.04     0.07  -0.08  -0.05     0.03   0.01   0.01
     9   6     0.06  -0.02   0.01     0.08   0.11  -0.03    -0.05  -0.03   0.07
    10   6     0.02  -0.04   0.03     0.08   0.06  -0.03     0.03   0.04   0.05
    11   6     0.16  -0.14  -0.05     0.07  -0.05  -0.04     0.03  -0.03  -0.03
    12   1     0.13   0.04   0.09     0.32   0.13   0.22    -0.36  -0.07  -0.26
    13   1    -0.03  -0.09   0.07    -0.25   0.17   0.09     0.40  -0.01  -0.11
    14   1    -0.12  -0.02   0.13    -0.16   0.03  -0.11    -0.02  -0.03  -0.12
    15   1     0.14   0.19   0.02     0.26  -0.21   0.22    -0.21   0.17  -0.17
    16   1     0.02  -0.20  -0.13    -0.16   0.30   0.22     0.45   0.03   0.04
    17   1     0.05   0.03  -0.21    -0.05  -0.04   0.14     0.02   0.02  -0.09
    18   1    -0.01  -0.01  -0.09    -0.06  -0.06   0.15    -0.01  -0.00  -0.02
    19   1     0.00  -0.00  -0.08    -0.06  -0.06   0.15    -0.03  -0.03   0.06
    20   1     0.01   0.00   0.04     0.07  -0.08  -0.05    -0.09  -0.03  -0.04
    21   1    -0.07   0.07   0.08     0.09  -0.09  -0.06    -0.18   0.13   0.06
    22   1    -0.09   0.09   0.11     0.07  -0.08  -0.06     0.07  -0.19  -0.13
    23   1    -0.28   0.01  -0.13    -0.11  -0.12   0.09    -0.17  -0.09   0.14
    24   1     0.06   0.06   0.05     0.02   0.01  -0.12    -0.04   0.06  -0.16
    25   1     0.25  -0.25  -0.22    -0.01  -0.02   0.01     0.00   0.01   0.02
    26   1    -0.17   0.02  -0.04     0.10  -0.09  -0.03     0.11  -0.07  -0.02
    27   1     0.23  -0.26  -0.29     0.12  -0.13  -0.02     0.04  -0.04   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    863.6196               875.4091               896.4219
 Red. masses --      1.9722                 1.7921                 2.5208
 Frc consts  --      0.8666                 0.8092                 1.1935
 IR Inten    --      4.0762                 4.1598                 6.6631
 RamAct Fr= 1--     22.7364                17.2341                 9.5234
  Dep-P Fr= 1--      0.6120                 0.6584                 0.6316
  Dep-U Fr= 1--      0.7593                 0.7940                 0.7742
 Alpha2 Fr= 1--      0.0577                 0.0282                 0.0205
 Beta2  Fr= 1--      2.8773                 2.2807                 1.2289
 AlphaG Fr= 1--      0.2257                -0.2336                 0.1314
 Gamma2 Fr= 1--     -0.0595                 2.2927                 4.6009
 Delta2 Fr= 1--     -1.6186                -1.3703                 1.1614
 Raman1 Fr= 1--      90.946                 68.937                 38.094
 ROA1   Fr= 1--     -57.505                176.254                478.848
 CID1   Fr= 1--      -0.632                  2.557                 12.570
 Raman2 Fr= 1--      34.528                 27.368                 14.747
 ROA2   Fr= 1--      11.521                 65.988                101.130
 CID2   Fr= 1--       0.334                  2.411                  6.858
 Raman3 Fr= 1--      69.056                 54.736                 29.494
 ROA3   Fr= 1--     -57.505                176.254                478.848
 CID3   Fr= 1--      -0.833                  3.220                 16.236
 RC180  Fr= 1--       0.519                  0.588                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02   0.03     0.02   0.01   0.00     0.02   0.01  -0.00
     2   6    -0.10  -0.01  -0.07     0.06   0.03   0.03     0.02   0.01   0.01
     3   6     0.06  -0.08  -0.04    -0.03   0.04  -0.04     0.04  -0.08   0.00
     4   6     0.00  -0.05   0.08     0.04  -0.00   0.12    -0.02  -0.09  -0.01
     5   6     0.01   0.07  -0.08    -0.07  -0.03  -0.13     0.15   0.18  -0.00
     6   6    -0.01  -0.01  -0.00     0.01   0.02   0.00    -0.02  -0.06  -0.01
     7   8    -0.01  -0.02   0.00     0.02   0.03   0.01    -0.04  -0.08  -0.01
     8   6    -0.01  -0.04  -0.04     0.03   0.02   0.01     0.02   0.01   0.01
     9   6     0.04   0.14   0.06    -0.07  -0.09  -0.00    -0.08  -0.06  -0.06
    10   6     0.06   0.01   0.04     0.01   0.03  -0.05     0.02   0.17   0.00
    11   6    -0.01  -0.01   0.02     0.03  -0.00   0.03    -0.07  -0.02   0.02
    12   1    -0.18   0.14  -0.18    -0.03  -0.18   0.03     0.11  -0.10   0.14
    13   1     0.31   0.19  -0.06    -0.08  -0.06  -0.01    -0.26  -0.16   0.04
    14   1    -0.10  -0.06  -0.09    -0.20  -0.13  -0.07     0.15  -0.06   0.03
    15   1    -0.13   0.04  -0.10     0.00  -0.21   0.04     0.22   0.04   0.20
    16   1     0.20  -0.01   0.02    -0.01   0.24   0.17    -0.05   0.32   0.16
    17   1     0.01  -0.09   0.27    -0.00   0.03  -0.08     0.00   0.03  -0.09
    18   1     0.05  -0.02   0.17    -0.01   0.00  -0.03    -0.03  -0.01  -0.02
    19   1     0.14   0.10  -0.20    -0.05  -0.03   0.08    -0.04  -0.04   0.06
    20   1     0.09  -0.03   0.00    -0.05  -0.05  -0.04    -0.05  -0.00  -0.02
    21   1     0.15  -0.14  -0.06    -0.15   0.12   0.06    -0.08   0.06   0.01
    22   1    -0.05   0.14   0.08     0.06  -0.16  -0.09     0.04  -0.09  -0.06
    23   1    -0.20   0.04  -0.19     0.08   0.10  -0.31    -0.34  -0.06   0.06
    24   1     0.15  -0.07   0.43     0.05  -0.23   0.59     0.34   0.15   0.09
    25   1     0.12  -0.06  -0.07     0.07  -0.08  -0.09     0.14  -0.00  -0.01
    26   1    -0.06   0.08  -0.00    -0.17   0.10   0.03     0.11   0.03  -0.04
    27   1    -0.07   0.08  -0.03     0.06  -0.07  -0.12    -0.23   0.26   0.11
                     25                     26                     27
                      A                      A                      A
 Frequencies --    917.3950               948.3523               960.4213
 Red. masses --      2.1238                 2.2606                 1.6649
 Frc consts  --      1.0531                 1.1979                 0.9048
 IR Inten    --      0.2418                12.4031                12.7633
 RamAct Fr= 1--      7.5018                 2.5074                 8.2164
  Dep-P Fr= 1--      0.3645                 0.5923                 0.2884
  Dep-U Fr= 1--      0.5343                 0.7440                 0.4477
 Alpha2 Fr= 1--      0.0628                 0.0074                 0.0872
 Beta2  Fr= 1--      0.6680                 0.3109                 0.6130
 AlphaG Fr= 1--      0.0059                 0.0362                 0.0678
 Gamma2 Fr= 1--      0.9951                 3.9271                 0.4963
 Delta2 Fr= 1--     -0.0726                 1.3932                 0.4221
 Raman1 Fr= 1--      30.007                 10.030                 32.866
 ROA1   Fr= 1--      93.201                421.584                 61.149
 CID1   Fr= 1--       3.106                 42.034                  1.861
 Raman2 Fr= 1--       8.017                  3.731                  7.356
 ROA2   Fr= 1--      24.462                 83.105                  8.534
 CID2   Fr= 1--       3.052                 22.275                  1.160
 Raman3 Fr= 1--      16.033                  7.462                 14.713
 ROA3   Fr= 1--      93.201                421.584                 61.149
 CID3   Fr= 1--       5.813                 56.499                  4.156
 RC180  Fr= 1--       0.069                  0.488                 -0.105
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.15     0.02  -0.05   0.01    -0.03   0.10  -0.04
     2   6     0.07   0.07  -0.08     0.03  -0.05  -0.02    -0.04   0.04   0.06
     3   6    -0.06   0.05  -0.07    -0.08   0.01  -0.01    -0.07   0.02  -0.01
     4   6     0.03  -0.01   0.02     0.02   0.02  -0.00     0.00   0.00   0.01
     5   6     0.06   0.06  -0.02     0.05   0.02  -0.00     0.04   0.03  -0.00
     6   6     0.02  -0.03  -0.01     0.06  -0.03  -0.02     0.07  -0.04  -0.03
     7   8    -0.02  -0.04  -0.00    -0.02  -0.05  -0.01    -0.02  -0.05  -0.01
     8   6     0.01   0.05  -0.01    -0.02   0.06   0.01     0.05  -0.10   0.04
     9   6     0.10  -0.06  -0.03    -0.15   0.07  -0.07    -0.00   0.00   0.01
    10   6    -0.09  -0.08   0.03     0.16  -0.12   0.07     0.01  -0.05   0.01
    11   6    -0.03   0.02   0.02    -0.02   0.07   0.02    -0.02   0.07   0.02
    12   1     0.11   0.25   0.03    -0.14   0.20  -0.03     0.00  -0.06   0.01
    13   1     0.04  -0.36   0.10    -0.33   0.33  -0.10    -0.03   0.10  -0.01
    14   1    -0.22   0.32  -0.16    -0.16   0.07  -0.04    -0.11   0.05  -0.03
    15   1    -0.11   0.23  -0.11     0.28   0.07   0.09     0.07   0.04   0.02
    16   1     0.01  -0.31  -0.22     0.39  -0.11   0.10     0.03  -0.08  -0.02
    17   1    -0.00  -0.03  -0.04    -0.12   0.03   0.14     0.21  -0.04  -0.28
    18   1    -0.12  -0.13   0.22     0.05   0.12  -0.23    -0.08  -0.21   0.37
    19   1    -0.09  -0.13   0.20    -0.09   0.03   0.17     0.15  -0.06  -0.31
    20   1     0.07  -0.16  -0.06     0.03  -0.10  -0.02    -0.19   0.27   0.06
    21   1    -0.14   0.12   0.12    -0.12   0.11   0.13     0.11  -0.10  -0.23
    22   1    -0.06  -0.02   0.05    -0.09   0.02   0.08     0.24  -0.18  -0.26
    23   1    -0.02   0.02  -0.06     0.05   0.03  -0.04    -0.02   0.01  -0.02
    24   1     0.12   0.03   0.09     0.02   0.03  -0.05     0.01   0.03  -0.01
    25   1    -0.01   0.01   0.00    -0.18   0.06   0.04    -0.20   0.06   0.04
    26   1    -0.05   0.04   0.01    -0.17   0.05   0.07    -0.19   0.05   0.08
    27   1    -0.06   0.06   0.02     0.06  -0.08  -0.03     0.08  -0.10  -0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --    968.2197               980.4561              1003.1371
 Red. masses --      1.7288                 1.7372                 1.6633
 Frc consts  --      0.9549                 0.9839                 0.9862
 IR Inten    --     26.2578                 1.3638                 2.2693
 RamAct Fr= 1--     13.2601                 9.0443                 8.2179
  Dep-P Fr= 1--      0.1565                 0.2569                 0.3591
  Dep-U Fr= 1--      0.2706                 0.4087                 0.5284
 Alpha2 Fr= 1--      0.2016                 0.1051                 0.0700
 Beta2  Fr= 1--      0.5981                 0.6161                 0.7237
 AlphaG Fr= 1--      0.2293                 0.0533                -0.5184
 Gamma2 Fr= 1--     -0.3420                -0.6260                -1.0835
 Delta2 Fr= 1--     -0.4906                -0.4334                 0.8966
 Raman1 Fr= 1--      53.041                 36.177                 32.871
 ROA1   Fr= 1--     -48.526                -73.962                -75.328
 CID1   Fr= 1--      -0.915                 -2.044                 -2.292
 Raman2 Fr= 1--       7.177                  7.393                  8.685
 ROA2   Fr= 1--      -4.282                -11.556                -33.177
 CID2   Fr= 1--      -0.597                 -1.563                 -3.820
 Raman3 Fr= 1--      14.354                 14.787                 17.369
 ROA3   Fr= 1--     -48.526                -73.962                -75.328
 CID3   Fr= 1--      -3.381                 -5.002                 -4.337
 RC180  Fr= 1--      -0.459                 -0.183                  0.057
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03    -0.01   0.06   0.06     0.05  -0.05  -0.04
     2   6    -0.00   0.02  -0.03    -0.00   0.02  -0.04     0.04  -0.11   0.02
     3   6     0.03  -0.08   0.01     0.09  -0.08   0.00     0.01   0.01  -0.08
     4   6    -0.03   0.01  -0.01     0.01   0.03   0.00    -0.02  -0.02   0.01
     5   6    -0.03  -0.01   0.02    -0.07  -0.06  -0.00    -0.02   0.02  -0.03
     6   6     0.10  -0.04  -0.03    -0.04   0.03   0.01     0.01  -0.00  -0.00
     7   8    -0.01  -0.06  -0.02     0.02   0.04   0.01     0.00  -0.01  -0.00
     8   6    -0.01   0.01  -0.04    -0.03  -0.02   0.00    -0.08   0.00   0.11
     9   6     0.04  -0.01   0.01    -0.08  -0.00  -0.11     0.07   0.03  -0.03
    10   6    -0.03   0.11  -0.01     0.05   0.01   0.06    -0.05   0.04   0.02
    11   6     0.02   0.14   0.03     0.03  -0.03  -0.01     0.01   0.02  -0.00
    12   1     0.02   0.02   0.00    -0.03   0.45   0.02     0.10   0.23   0.04
    13   1     0.13  -0.21   0.05    -0.25  -0.33   0.07    -0.04  -0.05   0.04
    14   1     0.07  -0.26   0.05     0.15  -0.10   0.02     0.02   0.20  -0.11
    15   1    -0.11  -0.04  -0.01    -0.02   0.07  -0.02    -0.04   0.16  -0.02
    16   1    -0.05   0.19   0.07     0.29   0.00   0.06    -0.02  -0.05  -0.07
    17   1    -0.04   0.02   0.01     0.12   0.00  -0.33    -0.08   0.03   0.07
    18   1    -0.02   0.02  -0.06    -0.17  -0.21   0.28     0.07   0.13  -0.29
    19   1    -0.06  -0.02   0.11    -0.04  -0.18   0.03    -0.07   0.02   0.14
    20   1     0.13  -0.13  -0.03    -0.01   0.13   0.06    -0.28   0.47   0.18
    21   1     0.02  -0.02   0.07     0.14  -0.11  -0.11     0.12  -0.07  -0.21
    22   1    -0.10   0.11   0.12    -0.00   0.11   0.01     0.11   0.06  -0.13
    23   1    -0.19   0.02   0.03     0.01   0.02   0.04    -0.06  -0.08   0.25
    24   1    -0.25   0.01  -0.03    -0.15  -0.06   0.05     0.01  -0.08   0.33
    25   1    -0.41   0.10   0.07     0.06  -0.03  -0.02    -0.07   0.02   0.02
    26   1    -0.38   0.06   0.15     0.05  -0.03  -0.02    -0.04  -0.01   0.02
    27   1     0.27  -0.31  -0.14     0.03  -0.02  -0.01     0.06  -0.06  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1009.7610              1024.5820              1049.8104
 Red. masses --      1.4208                 1.2707                 1.7335
 Frc consts  --      0.8536                 0.7859                 1.1257
 IR Inten    --      1.9126                28.0654                 0.2140
 RamAct Fr= 1--     12.7763                 1.2342                 1.4623
  Dep-P Fr= 1--      0.3360                 0.4248                 0.5480
  Dep-U Fr= 1--      0.5030                 0.5963                 0.7080
 Alpha2 Fr= 1--      0.1173                 0.0083                 0.0057
 Beta2  Fr= 1--      1.0711                 0.1227                 0.1726
 AlphaG Fr= 1--      0.4358                 0.3427                 0.1914
 Gamma2 Fr= 1--      4.4044                 0.5478                 0.5590
 Delta2 Fr= 1--      0.6119                -0.8295                -0.3360
 Raman1 Fr= 1--      51.105                  4.937                  5.849
 ROA1   Fr= 1--     442.407                 26.041                 42.914
 CID1   Fr= 1--       8.657                  5.275                  7.337
 Raman2 Fr= 1--      12.853                  1.472                  2.071
 ROA2   Fr= 1--     100.812                 19.782                 16.105
 CID2   Fr= 1--       7.843                 13.439                  7.778
 Raman3 Fr= 1--      25.706                  2.944                  4.141
 ROA3   Fr= 1--     442.407                 26.041                 42.914
 CID3   Fr= 1--      17.210                  8.845                 10.363
 RC180  Fr= 1--       0.006                  0.193                  0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.03  -0.01     0.02   0.02   0.01    -0.01  -0.01  -0.00
     2   6    -0.00   0.01  -0.03    -0.02   0.03   0.01     0.01  -0.01  -0.01
     3   6     0.09  -0.05   0.01    -0.02   0.02   0.02    -0.00  -0.01   0.00
     4   6    -0.02   0.01  -0.02    -0.02   0.01  -0.07     0.02  -0.01   0.06
     5   6    -0.05  -0.02   0.00    -0.00   0.02  -0.05    -0.01   0.01  -0.05
     6   6    -0.00   0.01   0.01     0.02  -0.02   0.06     0.04  -0.05   0.18
     7   8     0.01   0.01  -0.00    -0.01  -0.00  -0.01    -0.01   0.01  -0.03
     8   6     0.07   0.05   0.03     0.01  -0.01  -0.05     0.00   0.00   0.02
     9   6    -0.02  -0.01  -0.04    -0.01  -0.01   0.03     0.00   0.00  -0.01
    10   6     0.00   0.02   0.03     0.01  -0.04  -0.01    -0.00   0.02   0.00
    11   6     0.02   0.02  -0.01    -0.01   0.02  -0.06    -0.03   0.03  -0.13
    12   1     0.08  -0.08   0.06    -0.05  -0.09  -0.02     0.01   0.07   0.00
    13   1    -0.12  -0.01  -0.00     0.03   0.08  -0.02     0.01  -0.07   0.02
    14   1     0.07   0.26  -0.04     0.11  -0.01   0.06    -0.11  -0.08  -0.02
    15   1     0.15   0.15   0.09     0.02  -0.04  -0.00    -0.03  -0.01  -0.01
    16   1    -0.12  -0.12  -0.11     0.02  -0.01   0.01     0.00   0.04   0.02
    17   1     0.01  -0.11   0.34     0.03   0.03  -0.13    -0.01  -0.01   0.06
    18   1     0.10   0.02   0.17    -0.05  -0.04   0.03     0.02   0.02  -0.00
    19   1     0.19   0.15  -0.31    -0.04  -0.06   0.06     0.02   0.03  -0.03
    20   1    -0.12  -0.10  -0.09     0.14  -0.14  -0.04    -0.06   0.06   0.02
    21   1    -0.30   0.26   0.11     0.04  -0.05   0.04    -0.02   0.02  -0.02
    22   1     0.10  -0.29  -0.15    -0.07   0.07   0.09     0.03  -0.03  -0.04
    23   1    -0.07  -0.04   0.21     0.14  -0.18   0.60    -0.06   0.13  -0.45
    24   1    -0.13  -0.05   0.14     0.14  -0.14   0.52    -0.02   0.04  -0.17
    25   1    -0.08   0.02   0.02    -0.15   0.13   0.13    -0.30   0.30   0.28
    26   1    -0.02  -0.03   0.02     0.15  -0.15  -0.02     0.38  -0.36  -0.05
    27   1     0.09  -0.09  -0.02     0.03  -0.03   0.12     0.05  -0.06   0.28
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1089.9768              1156.1786              1172.4305
 Red. masses --      1.3648                 2.0951                 1.6569
 Frc consts  --      0.9554                 1.6501                 1.3419
 IR Inten    --     10.0059                 8.7249                15.9559
 RamAct Fr= 1--      6.7030                 6.2263                83.8678
  Dep-P Fr= 1--      0.3227                 0.2397                 0.3564
  Dep-U Fr= 1--      0.4879                 0.3868                 0.5255
 Alpha2 Fr= 1--      0.0642                 0.0759                 0.7210
 Beta2  Fr= 1--      0.5451                 0.4013                 7.3460
 AlphaG Fr= 1--     -0.0878                 0.0988                 0.3548
 Gamma2 Fr= 1--      0.1808                -2.0331                 3.7715
 Delta2 Fr= 1--      1.1685                -1.2681                -0.6811
 Raman1 Fr= 1--      26.812                 24.905                335.471
 ROA1   Fr= 1--      54.744               -235.759                340.264
 CID1   Fr= 1--       2.042                 -9.466                  1.014
 Raman2 Fr= 1--       6.541                  4.816                 88.153
 ROA2   Fr= 1--      -5.009                -38.650                 95.964
 CID2   Fr= 1--      -0.766                 -8.025                  1.089
 Raman3 Fr= 1--      13.082                  9.632                176.305
 ROA3   Fr= 1--      54.744               -235.759                340.264
 CID3   Fr= 1--       4.185                -24.476                  1.930
 RC180  Fr= 1--      -0.024                 -0.226                  0.051
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.02    -0.04  -0.01  -0.01    -0.05  -0.02  -0.05
     2   6     0.00   0.01   0.02     0.04  -0.00  -0.02     0.05   0.03   0.12
     3   6     0.10   0.02  -0.06     0.08   0.17   0.09    -0.05   0.05  -0.07
     4   6    -0.02  -0.05   0.06    -0.08  -0.10   0.02     0.01  -0.02   0.04
     5   6    -0.04   0.01  -0.00    -0.01   0.07   0.02    -0.01   0.01  -0.01
     6   6    -0.02  -0.00   0.02    -0.06  -0.00   0.01     0.02   0.00  -0.01
     7   8     0.01  -0.00  -0.00     0.00  -0.04  -0.01    -0.00   0.00   0.00
     8   6    -0.03  -0.01  -0.04    -0.01   0.01   0.01    -0.01  -0.00  -0.05
     9   6    -0.04  -0.02   0.02    -0.02  -0.04  -0.02     0.06  -0.05  -0.06
    10   6    -0.01  -0.02   0.02     0.04  -0.07  -0.10    -0.09  -0.02   0.05
    11   6     0.02   0.01  -0.01     0.05   0.03  -0.00    -0.01  -0.01   0.00
    12   1     0.04  -0.36   0.04    -0.16   0.35  -0.09     0.16   0.12   0.07
    13   1    -0.10   0.33  -0.08    -0.01  -0.14   0.01    -0.22   0.16  -0.02
    14   1     0.19   0.47  -0.09     0.34   0.25   0.17     0.48  -0.36   0.16
    15   1     0.17   0.13   0.08    -0.27  -0.41  -0.18     0.01   0.24   0.02
    16   1    -0.14  -0.16  -0.14     0.13   0.12   0.11     0.34  -0.01   0.07
    17   1     0.03   0.05  -0.20     0.01  -0.05   0.12     0.02  -0.07   0.18
    18   1    -0.07  -0.04  -0.01     0.04   0.01   0.07     0.12   0.06   0.05
    19   1    -0.07  -0.09   0.11     0.06   0.06  -0.10     0.13   0.15  -0.23
    20   1     0.13  -0.05   0.01    -0.03   0.04   0.02     0.17  -0.11  -0.02
    21   1     0.12  -0.12   0.00    -0.01   0.01  -0.01     0.07  -0.07   0.07
    22   1    -0.10   0.17   0.12     0.01   0.01  -0.01    -0.08   0.09   0.09
    23   1    -0.29   0.04  -0.18    -0.12  -0.08  -0.08    -0.06   0.02  -0.06
    24   1    -0.13   0.03  -0.04     0.23   0.07  -0.05    -0.08  -0.01   0.06
    25   1    -0.06   0.01   0.01    -0.10  -0.01  -0.02     0.02  -0.00   0.00
    26   1    -0.02  -0.02   0.02    -0.08  -0.02   0.05     0.01   0.01  -0.01
    27   1     0.08  -0.08  -0.02     0.15  -0.15  -0.07    -0.03   0.03   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1185.4253              1198.2971              1224.8745
 Red. masses --      1.8120                 1.9130                 1.5127
 Frc consts  --      1.5002                 1.6184                 1.3372
 IR Inten    --     14.7968                60.7830                 5.8358
 RamAct Fr= 1--      1.5435                 3.0149                17.9077
  Dep-P Fr= 1--      0.7173                 0.7480                 0.4200
  Dep-U Fr= 1--      0.8354                 0.8558                 0.5915
 Alpha2 Fr= 1--      0.0009                 0.0001                 0.1233
 Beta2  Fr= 1--      0.2149                 0.4300                 1.7655
 AlphaG Fr= 1--      0.0051                -0.0032                 0.0229
 Gamma2 Fr= 1--     -0.2296                 1.3608                -1.3789
 Delta2 Fr= 1--     -0.1873                 1.0292                -0.6353
 Raman1 Fr= 1--       6.174                 12.060                 71.631
 ROA1   Fr= 1--     -28.031                163.572               -152.707
 CID1   Fr= 1--      -4.540                 13.564                 -2.132
 Raman2 Fr= 1--       2.579                  5.160                 21.186
 ROA2   Fr= 1--      -4.011                 24.426                -28.012
 CID2   Fr= 1--      -1.556                  4.733                 -1.322
 Raman3 Fr= 1--       5.158                 10.321                 42.372
 ROA3   Fr= 1--     -28.031                163.572               -152.707
 CID3   Fr= 1--      -5.435                 15.849                 -3.604
 RC180  Fr= 1--       0.671                  0.712                  0.183
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.00   0.00     0.01  -0.00   0.00     0.03   0.04   0.02
     2   6     0.19   0.00  -0.00    -0.03  -0.01  -0.01    -0.10  -0.09  -0.04
     3   6     0.02  -0.05   0.06     0.01   0.06   0.03     0.03  -0.02   0.04
     4   6    -0.01   0.02  -0.05    -0.02  -0.05   0.01     0.00   0.01  -0.01
     5   6     0.00  -0.02   0.01    -0.01  -0.04  -0.01     0.01  -0.00   0.00
     6   6     0.04  -0.00  -0.01     0.22  -0.01  -0.05    -0.01  -0.00   0.01
     7   8    -0.00   0.01   0.00    -0.02   0.05   0.02     0.00  -0.00  -0.00
     8   6    -0.09  -0.01  -0.02     0.02   0.00   0.01     0.05   0.04   0.01
     9   6    -0.01  -0.06   0.02    -0.01   0.00  -0.01     0.10  -0.05  -0.02
    10   6    -0.04   0.03  -0.05     0.04  -0.02  -0.02    -0.07   0.02   0.01
    11   6    -0.02  -0.01   0.00    -0.10  -0.05   0.01     0.00   0.00  -0.00
    12   1    -0.03  -0.03  -0.00    -0.04   0.07  -0.02     0.15   0.02   0.04
    13   1    -0.07   0.26  -0.07     0.00  -0.05   0.01    -0.25   0.55  -0.10
    14   1    -0.52   0.25  -0.15     0.15   0.15   0.06    -0.13   0.10  -0.02
    15   1     0.02  -0.07   0.03    -0.15  -0.17  -0.10    -0.34  -0.05  -0.15
    16   1     0.18   0.23   0.16    -0.02   0.00  -0.00     0.40   0.18   0.19
    17   1     0.09  -0.10   0.14    -0.01   0.01  -0.02     0.03   0.05  -0.20
    18   1     0.07  -0.01   0.21    -0.01  -0.00  -0.02    -0.11  -0.07  -0.01
    19   1     0.12   0.07  -0.22    -0.02  -0.01   0.04    -0.04  -0.11   0.05
    20   1     0.08   0.14   0.10    -0.03  -0.01  -0.01    -0.08  -0.09  -0.08
    21   1     0.14  -0.14  -0.02    -0.04   0.04  -0.00    -0.16   0.15   0.07
    22   1    -0.10   0.30   0.13     0.03  -0.06  -0.03    -0.00  -0.14  -0.00
    23   1     0.02  -0.02   0.09    -0.32  -0.02   0.03    -0.01   0.01   0.00
    24   1    -0.06  -0.01  -0.02    -0.60  -0.04   0.12     0.00   0.00  -0.01
    25   1     0.03   0.01   0.02     0.12   0.06   0.08    -0.01  -0.00  -0.00
    26   1     0.02   0.01  -0.02     0.08   0.10  -0.08    -0.00  -0.01   0.00
    27   1    -0.07   0.07   0.04    -0.33   0.35   0.17     0.02  -0.02  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1245.7561              1267.5923              1282.9241
 Red. masses --      1.6186                 1.4689                 1.9230
 Frc consts  --      1.4800                 1.3906                 1.8648
 IR Inten    --     10.2939                 4.8132                 4.6136
 RamAct Fr= 1--     16.9552                 2.6205                11.3262
  Dep-P Fr= 1--      0.3164                 0.4865                 0.3425
  Dep-U Fr= 1--      0.4807                 0.6546                 0.5103
 Alpha2 Fr= 1--      0.1655                 0.0138                 0.1019
 Beta2  Fr= 1--      1.3583                 0.2859                 0.9632
 AlphaG Fr= 1--      0.0880                -0.0217                -0.1068
 Gamma2 Fr= 1--      0.7099                 1.4824                 2.4159
 Delta2 Fr= 1--     -2.9403                 0.6843                 1.1319
 Raman1 Fr= 1--      67.821                 10.482                 45.305
 ROA1   Fr= 1--     -25.939                164.213                268.147
 CID1   Fr= 1--      -0.382                 15.666                  5.919
 Raman2 Fr= 1--      16.300                  3.431                 11.558
 ROA2   Fr= 1--      40.560                 30.104                 48.927
 CID2   Fr= 1--       2.488                  8.775                  4.233
 Raman3 Fr= 1--      32.599                  6.861                 23.117
 ROA3   Fr= 1--     -25.939                164.213                268.147
 CID3   Fr= 1--      -0.796                 23.933                 11.600
 RC180  Fr= 1--      -0.039                  0.309                  0.021
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07  -0.00     0.02  -0.02   0.02     0.01  -0.06   0.02
     2   6    -0.04   0.17  -0.01    -0.04   0.04  -0.08     0.00   0.18  -0.11
     3   6     0.02  -0.03   0.04     0.00  -0.02   0.01     0.01   0.02   0.01
     4   6     0.01   0.00  -0.01     0.02   0.01   0.01     0.00  -0.00  -0.02
     5   6     0.01  -0.00   0.00    -0.00  -0.01  -0.00     0.01  -0.00   0.00
     6   6    -0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
     7   8     0.00   0.00  -0.00     0.00   0.01   0.00     0.00  -0.00  -0.00
     8   6     0.01  -0.06   0.02     0.02  -0.01   0.03    -0.01  -0.06   0.04
     9   6    -0.01   0.07  -0.05     0.03  -0.04   0.08     0.01  -0.14   0.01
    10   6    -0.05  -0.06  -0.00    -0.09  -0.04  -0.10     0.06   0.04   0.07
    11   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   1     0.24  -0.49   0.11    -0.24   0.32  -0.13    -0.10   0.13  -0.05
    13   1    -0.03  -0.25   0.06     0.12   0.14  -0.02    -0.26   0.51  -0.12
    14   1    -0.05   0.22  -0.01     0.21   0.03   0.07    -0.02  -0.34   0.04
    15   1    -0.12  -0.04  -0.06     0.63   0.19   0.33    -0.23  -0.08  -0.09
    16   1     0.50   0.11   0.20     0.20   0.19   0.15    -0.28  -0.22  -0.20
    17   1    -0.15   0.04   0.15    -0.06   0.03   0.01    -0.13   0.03   0.14
    18   1     0.06   0.08  -0.17    -0.02  -0.00  -0.05     0.05   0.05  -0.08
    19   1    -0.06   0.11   0.15    -0.04  -0.00   0.09    -0.04   0.11   0.13
    20   1    -0.03   0.06   0.03    -0.08   0.06   0.01    -0.06   0.14   0.07
    21   1     0.11  -0.09  -0.16    -0.04   0.03  -0.07     0.05  -0.05  -0.18
    22   1     0.11  -0.02  -0.11     0.08  -0.04  -0.07     0.14   0.06  -0.12
    23   1    -0.01   0.00   0.01    -0.05   0.03  -0.01    -0.05  -0.01   0.04
    24   1    -0.06   0.00   0.01    -0.07  -0.01  -0.01    -0.03   0.00   0.00
    25   1    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
    26   1     0.00  -0.01   0.00     0.01   0.00  -0.00     0.00  -0.01   0.00
    27   1     0.01  -0.01  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1311.1183              1325.3571              1342.3203
 Red. masses --      1.7779                 1.7302                 1.4733
 Frc consts  --      1.8007                 1.7907                 1.5640
 IR Inten    --     48.0088                31.0164                17.1671
 RamAct Fr= 1--     22.6022                 1.9275                34.7536
  Dep-P Fr= 1--      0.2313                 0.7383                 0.2362
  Dep-U Fr= 1--      0.3757                 0.8495                 0.3822
 Alpha2 Fr= 1--      0.2821                 0.0004                 0.4279
 Beta2  Fr= 1--      1.4153                 0.2729                 2.2137
 AlphaG Fr= 1--      0.1087                 0.0059                -0.0638
 Gamma2 Fr= 1--      4.5472                 1.4288                 0.2175
 Delta2 Fr= 1--      2.9150                -0.1080                -0.1982
 Raman1 Fr= 1--      90.409                  7.710                139.015
 ROA1   Fr= 1--     529.814                133.708                 14.534
 CID1   Fr= 1--       5.860                 17.342                  0.105
 Raman2 Fr= 1--      16.983                  3.275                 26.564
 ROA2   Fr= 1--      85.813                 35.155                  6.804
 CID2   Fr= 1--       5.053                 10.735                  0.256
 Raman3 Fr= 1--      33.966                  6.549                 53.129
 ROA3   Fr= 1--     529.814                133.708                 14.534
 CID3   Fr= 1--      15.598                 20.415                  0.274
 RC180  Fr= 1--      -0.249                  0.699                 -0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.03     0.02  -0.02  -0.02     0.00  -0.00   0.00
     2   6    -0.08   0.06   0.17    -0.07   0.06   0.10    -0.00   0.00  -0.01
     3   6    -0.03  -0.04   0.00     0.08  -0.06  -0.03     0.06   0.04  -0.00
     4   6     0.06   0.05  -0.01    -0.08  -0.02   0.01    -0.06   0.10   0.04
     5   6     0.06  -0.06  -0.03    -0.09   0.05   0.04    -0.04  -0.11  -0.02
     6   6    -0.07   0.00   0.02     0.10  -0.01  -0.02     0.08  -0.00  -0.02
     7   8     0.01   0.01  -0.00    -0.02  -0.01   0.00    -0.01  -0.00   0.00
     8   6     0.02  -0.01  -0.04     0.01  -0.01  -0.03     0.00  -0.00   0.00
     9   6     0.02  -0.05  -0.02     0.02  -0.05  -0.01    -0.00   0.01  -0.01
    10   6     0.04   0.01  -0.03     0.00   0.02   0.00    -0.02  -0.02   0.01
    11   6     0.00   0.01   0.00    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00
    12   1    -0.13   0.47  -0.08    -0.07   0.27  -0.05     0.02  -0.06   0.00
    13   1    -0.04  -0.09   0.02    -0.08   0.00   0.01    -0.03  -0.02   0.01
    14   1    -0.27   0.37  -0.12    -0.11   0.24  -0.12    -0.02  -0.11  -0.00
    15   1    -0.04  -0.11  -0.03     0.02   0.01   0.02     0.02   0.03   0.02
    16   1    -0.08   0.04  -0.01    -0.04  -0.01  -0.03     0.04  -0.04  -0.01
    17   1    -0.06   0.03  -0.05    -0.06   0.04  -0.04    -0.00   0.00  -0.00
    18   1     0.08   0.11  -0.17     0.04   0.07  -0.13     0.00  -0.00   0.00
    19   1     0.05   0.13  -0.04     0.02   0.08   0.00    -0.01   0.01   0.01
    20   1     0.11  -0.12  -0.04     0.07  -0.09  -0.03    -0.01   0.01   0.00
    21   1     0.07  -0.06   0.06     0.07  -0.05   0.02    -0.01   0.01  -0.01
    22   1    -0.03  -0.06   0.02    -0.01  -0.06  -0.01     0.01   0.01  -0.00
    23   1    -0.51   0.08   0.15     0.73  -0.08  -0.20    -0.42   0.12   0.14
    24   1    -0.08  -0.06  -0.00     0.24   0.05  -0.04     0.78  -0.12  -0.21
    25   1     0.03  -0.03  -0.05    -0.05   0.06   0.10    -0.02   0.07   0.10
    26   1     0.04  -0.05   0.01    -0.08   0.10  -0.03    -0.05   0.10  -0.04
    27   1     0.06  -0.08  -0.03    -0.09   0.13   0.05    -0.08   0.09   0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1378.4203              1385.9666              1406.8266
 Red. masses --      1.6606                 1.3607                 1.2843
 Frc consts  --      1.8590                 1.5400                 1.4976
 IR Inten    --      0.8631                59.2340                 9.3879
 RamAct Fr= 1--     17.3032                 1.3079                 1.3476
  Dep-P Fr= 1--      0.3831                 0.2632                 0.2867
  Dep-U Fr= 1--      0.5540                 0.4167                 0.4456
 Alpha2 Fr= 1--      0.1360                 0.0149                 0.0144
 Beta2  Fr= 1--      1.5977                 0.0908                 0.1001
 AlphaG Fr= 1--     -0.0665                 0.0152                 0.0003
 Gamma2 Fr= 1--     -1.1878                -0.3053                 0.2348
 Delta2 Fr= 1--      0.0067                 0.0083                 0.1985
 Raman1 Fr= 1--      69.213                  5.232                  5.391
 ROA1   Fr= 1--    -113.816                -29.039                 28.895
 CID1   Fr= 1--      -1.644                 -5.551                  5.360
 Raman2 Fr= 1--      19.173                  1.090                  1.201
 ROA2   Fr= 1--     -28.562                 -7.393                  4.048
 CID2   Fr= 1--      -1.490                 -6.783                  3.370
 Raman3 Fr= 1--      38.345                  2.180                  2.402
 ROA3   Fr= 1--    -113.816                -29.039                 28.895
 CID3   Fr= 1--      -2.968                -13.322                 12.029
 RC180  Fr= 1--       0.108                 -0.167                 -0.109
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.00  -0.00  -0.00     0.03   0.02  -0.08
     2   6     0.04   0.01  -0.04    -0.00   0.00  -0.00    -0.02   0.01   0.03
     3   6    -0.16  -0.14  -0.01     0.01  -0.01  -0.00     0.02   0.00  -0.00
     4   6     0.03   0.07   0.05    -0.03   0.01   0.01    -0.00  -0.01  -0.00
     5   6    -0.01  -0.03  -0.01    -0.02  -0.01   0.00    -0.00   0.00   0.00
     6   6     0.01  -0.00  -0.00     0.07  -0.01  -0.02    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00     0.07  -0.08  -0.05
     9   6     0.00  -0.01   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    10   6     0.05   0.04  -0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.00  -0.01  -0.00    -0.12   0.09   0.05     0.00   0.00  -0.00
    12   1     0.04   0.01   0.05     0.00  -0.00   0.00    -0.01   0.04  -0.01
    13   1     0.08   0.10  -0.05    -0.00   0.01  -0.00    -0.02  -0.03   0.01
    14   1     0.63   0.53   0.15     0.04   0.03   0.00    -0.07  -0.01  -0.03
    15   1    -0.22  -0.12  -0.15    -0.01   0.00  -0.00     0.02  -0.02   0.02
    16   1    -0.07   0.11   0.05    -0.00  -0.00  -0.00     0.03  -0.03  -0.03
    17   1     0.03  -0.03   0.06     0.00  -0.00   0.00    -0.05   0.03   0.34
    18   1     0.02  -0.02   0.07     0.00   0.00   0.00    -0.01  -0.21   0.27
    19   1    -0.04  -0.01   0.03    -0.01   0.00   0.01    -0.24  -0.05   0.26
    20   1    -0.02   0.06   0.02     0.00  -0.00  -0.00    -0.20   0.38   0.01
    21   1    -0.06   0.03  -0.02     0.00  -0.00  -0.00    -0.38   0.18   0.18
    22   1     0.02   0.08   0.01     0.00   0.00  -0.00    -0.12   0.30   0.32
    23   1     0.11   0.09  -0.05     0.08   0.00  -0.02     0.01  -0.01  -0.00
    24   1     0.20  -0.04  -0.04     0.10  -0.01  -0.02    -0.02   0.00   0.00
    25   1    -0.02   0.02   0.04     0.39  -0.22  -0.41    -0.00  -0.00  -0.00
    26   1    -0.03   0.04  -0.01     0.50  -0.34   0.06     0.00  -0.00   0.00
    27   1    -0.03   0.04   0.01     0.18  -0.40  -0.15     0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.8574              1464.8051              1474.3295
 Red. masses --      1.2283                 1.0589                 1.0480
 Frc consts  --      1.4672                 1.3387                 1.3421
 IR Inten    --      3.3188                14.4194                 9.2732
 RamAct Fr= 1--      1.4939                 7.0086                 4.7441
  Dep-P Fr= 1--      0.6575                 0.3636                 0.7500
  Dep-U Fr= 1--      0.7933                 0.5333                 0.8571
 Alpha2 Fr= 1--      0.0025                 0.0589                 0.0000
 Beta2  Fr= 1--      0.1975                 0.6229                 0.6777
 AlphaG Fr= 1--      0.0079                -0.0190                -0.0003
 Gamma2 Fr= 1--      0.1281                -0.4661                 0.0833
 Delta2 Fr= 1--     -0.0663                -0.1133                -0.0204
 Raman1 Fr= 1--       5.975                 28.035                 18.976
 ROA1   Fr= 1--      10.179                -48.374                  7.341
 CID1   Fr= 1--       1.703                 -1.726                  0.387
 Raman2 Fr= 1--       2.370                  7.475                  8.133
 ROA2   Fr= 1--       3.605                -10.280                  2.162
 CID2   Fr= 1--       1.521                 -1.375                  0.266
 Raman3 Fr= 1--       4.741                 14.950                 16.265
 ROA3   Fr= 1--      10.179                -48.374                  7.341
 CID3   Fr= 1--       2.147                 -3.236                  0.451
 RC180  Fr= 1--       0.587                  0.067                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.10     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00  -0.00   0.01
     6   6    -0.00  -0.00   0.00    -0.01   0.02   0.01    -0.00   0.01  -0.02
     7   8     0.00   0.00  -0.00     0.00  -0.02  -0.01     0.00  -0.00   0.00
     8   6    -0.05   0.07   0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.01  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00    -0.05  -0.03   0.00    -0.01   0.01  -0.05
    12   1    -0.05   0.02  -0.05     0.00  -0.00   0.00     0.00   0.00   0.00
    13   1    -0.06   0.01   0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.02  -0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
    15   1     0.01  -0.03   0.02     0.00  -0.01   0.00     0.00  -0.00   0.00
    16   1     0.02  -0.01  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00   0.45    -0.01   0.00  -0.00    -0.00   0.00   0.00
    18   1    -0.02  -0.26   0.35    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.31  -0.14   0.31     0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.15  -0.29  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.31  -0.15  -0.09     0.00  -0.00   0.00    -0.00   0.00   0.00
    22   1     0.06  -0.27  -0.23    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    23   1    -0.01   0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.00   0.01
    24   1     0.00  -0.00  -0.01    -0.04   0.01   0.01     0.00   0.00  -0.01
    25   1    -0.00   0.00   0.00     0.32   0.36   0.40     0.48   0.10  -0.02
    26   1    -0.00   0.00  -0.00     0.17   0.54  -0.27    -0.45  -0.12   0.13
    27   1     0.00  -0.00   0.00     0.18  -0.39  -0.15     0.15  -0.18   0.69
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1482.5115              1484.4332              1493.6480
 Red. masses --      1.0670                 1.0506                 1.0623
 Frc consts  --      1.3818                 1.3639                 1.3963
 IR Inten    --      0.7195                 0.0417                 5.8390
 RamAct Fr= 1--      3.4023                 8.0801                 3.6200
  Dep-P Fr= 1--      0.7482                 0.7347                 0.6754
  Dep-U Fr= 1--      0.8560                 0.8471                 0.8063
 Alpha2 Fr= 1--      0.0001                 0.0021                 0.0048
 Beta2  Fr= 1--      0.4854                 1.1408                 0.4864
 AlphaG Fr= 1--      0.0004                -0.0003                 0.0219
 Gamma2 Fr= 1--      1.6282                -2.3012                -0.1083
 Delta2 Fr= 1--      0.2964                -0.6038                 0.7579
 Raman1 Fr= 1--      13.609                 32.321                 14.480
 ROA1   Fr= 1--     165.788               -240.232                 13.852
 CID1   Fr= 1--      12.182                 -7.433                  0.957
 Raman2 Fr= 1--       5.825                 13.689                  5.837
 ROA2   Fr= 1--      36.705                -50.398                 -8.664
 CID2   Fr= 1--       6.302                 -3.682                 -1.484
 Raman3 Fr= 1--      11.649                 27.379                 11.675
 ROA3   Fr= 1--     165.788               -240.232                 13.852
 CID3   Fr= 1--      14.232                 -8.774                  1.187
 RC180  Fr= 1--       0.712                  0.694                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01     0.03   0.01   0.01    -0.01   0.02  -0.00
     2   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.01    -0.02  -0.00   0.02
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.02  -0.00    -0.03  -0.01  -0.03    -0.01  -0.02   0.03
     9   6    -0.05  -0.01  -0.01    -0.02  -0.01  -0.00    -0.02  -0.01  -0.01
    10   6    -0.02   0.03   0.00    -0.01   0.02   0.00    -0.02   0.03   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    12   1     0.24   0.14   0.30     0.12   0.07   0.15     0.14   0.11   0.17
    13   1     0.35   0.09  -0.19     0.17   0.05  -0.09     0.20   0.03  -0.10
    14   1     0.00  -0.02   0.00     0.01   0.00   0.01    -0.04   0.01  -0.01
    15   1     0.05  -0.25   0.15     0.02  -0.17   0.09     0.05  -0.26   0.16
    16   1     0.17  -0.16  -0.17     0.11  -0.10  -0.11     0.18  -0.17  -0.18
    17   1    -0.05   0.03  -0.21    -0.28   0.18   0.13     0.23  -0.15   0.10
    18   1     0.21   0.03   0.22    -0.34  -0.22  -0.11     0.03   0.12  -0.13
    19   1    -0.05   0.33   0.15     0.15  -0.04  -0.17    -0.06  -0.27  -0.01
    20   1    -0.23   0.02  -0.09     0.35   0.26   0.21     0.16  -0.26   0.00
    21   1     0.18  -0.09   0.02    -0.04  -0.05   0.41    -0.23   0.18  -0.33
    22   1    -0.18  -0.21   0.16     0.12  -0.10  -0.24     0.22   0.38  -0.14
    23   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01    -0.00   0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    27   1    -0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.9638              1505.2722              1508.2948
 Red. masses --      1.1018                 1.0553                 1.0800
 Frc consts  --      1.4645                 1.4088                 1.4475
 IR Inten    --      3.7668                 7.8643                 5.7831
 RamAct Fr= 1--      9.6967                 3.3048                 1.5086
  Dep-P Fr= 1--      0.4173                 0.7500                 0.7183
  Dep-U Fr= 1--      0.5889                 0.8571                 0.8361
 Alpha2 Fr= 1--      0.0674                 0.0000                 0.0008
 Beta2  Fr= 1--      0.9517                 0.4721                 0.2102
 AlphaG Fr= 1--      0.0020                 0.0002                 0.0007
 Gamma2 Fr= 1--     -0.6395                 0.7605                 0.1752
 Delta2 Fr= 1--     -1.1820                -0.9311                 0.2104
 Raman1 Fr= 1--      38.787                 13.219                  6.034
 ROA1   Fr= 1--     -99.214                 43.218                 23.553
 CID1   Fr= 1--      -2.558                  3.269                  3.903
 Raman2 Fr= 1--      11.421                  5.665                  2.523
 ROA2   Fr= 1--      -5.892                 25.702                  2.521
 CID2   Fr= 1--      -0.516                  4.537                  1.000
 Raman3 Fr= 1--      22.841                 11.331                  5.045
 ROA3   Fr= 1--     -99.214                 43.218                 23.553
 CID3   Fr= 1--      -4.344                  3.814                  4.668
 RC180  Fr= 1--       0.178                  0.714                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01     0.00  -0.03  -0.02    -0.03  -0.00   0.01
     2   6    -0.03   0.02  -0.01    -0.01  -0.04   0.00    -0.01  -0.00  -0.02
     3   6     0.02   0.01   0.01     0.01   0.00   0.00    -0.01  -0.01  -0.00
     4   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.01  -0.02    -0.03  -0.01   0.01    -0.01  -0.00  -0.02
     9   6    -0.04  -0.02  -0.01     0.01   0.01   0.00     0.04   0.02   0.01
    10   6     0.02  -0.05   0.00     0.00  -0.01  -0.00    -0.02   0.04   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.20   0.13   0.25    -0.02  -0.02  -0.03    -0.18  -0.12  -0.22
    13   1     0.28   0.09  -0.17    -0.02  -0.01   0.02    -0.25  -0.05   0.14
    14   1    -0.05  -0.03  -0.01    -0.02  -0.00  -0.00     0.03   0.02   0.01
    15   1    -0.05   0.34  -0.19    -0.01   0.10  -0.05     0.05  -0.28   0.16
    16   1    -0.21   0.19   0.24    -0.06   0.07   0.07     0.19  -0.16  -0.19
    17   1     0.31  -0.21   0.04    -0.16   0.10  -0.29     0.31  -0.21  -0.12
    18   1     0.20   0.20  -0.03     0.23  -0.04   0.34     0.29   0.25   0.01
    19   1    -0.15  -0.19   0.12    -0.05   0.49   0.19    -0.13  -0.06   0.13
    20   1     0.16   0.17   0.11     0.35  -0.07   0.12     0.16   0.25   0.13
    21   1     0.00  -0.05   0.25    -0.23   0.13  -0.02     0.00  -0.06   0.34
    22   1     0.04  -0.11  -0.12     0.25   0.24  -0.26     0.02  -0.16  -0.10
    23   1    -0.01  -0.00   0.00     0.01  -0.01   0.00     0.01   0.00  -0.01
    24   1    -0.01   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
    25   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1674.9731              1763.3000              3013.7268
 Red. masses --      6.8538                 8.4458                 1.0782
 Frc consts  --     11.3291                15.4719                 5.7699
 IR Inten    --    257.1682               111.8844                 8.4445
 RamAct Fr= 1--    586.9803                22.7155                75.5057
  Dep-P Fr= 1--      0.2697                 0.7500                 0.4496
  Dep-U Fr= 1--      0.4249                 0.8571                 0.6203
 Alpha2 Fr= 1--      6.5784                 0.0000                 0.4637
 Beta2  Fr= 1--     41.5647                 3.2450                 7.8055
 AlphaG Fr= 1--      3.1010                -0.0018                -0.4740
 Gamma2 Fr= 1--     36.4639                -1.6994                -1.8384
 Delta2 Fr= 1--      0.0232                -0.4070                -9.9273
 Raman1 Fr= 1--    2347.921                 90.862                302.023
 ROA1   Fr= 1--    3501.275               -176.163               -494.161
 CID1   Fr= 1--       1.491                 -1.939                 -1.636
 Raman2 Fr= 1--     498.777                 38.940                 93.667
 ROA2   Fr= 1--     874.947                -37.529                 35.297
 CID2   Fr= 1--       1.754                 -0.964                  0.377
 Raman3 Fr= 1--     997.554                 77.879                187.333
 ROA3   Fr= 1--    3501.275               -176.163               -494.161
 CID3   Fr= 1--       3.510                 -2.262                 -2.638
 RC180  Fr= 1--      -0.150                  0.714                  0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.02   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.06  -0.01   0.02     0.03  -0.01  -0.01     0.02  -0.01  -0.07
     4   6     0.42  -0.14  -0.14    -0.21   0.09   0.08     0.00   0.00  -0.00
     5   6    -0.40   0.13   0.13     0.20  -0.12  -0.08    -0.00  -0.00  -0.00
     6   6     0.10   0.25   0.04     0.05   0.58   0.14     0.00   0.00  -0.00
     7   8    -0.04  -0.17  -0.04    -0.05  -0.37  -0.08     0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01   0.01
     9   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00   0.01
    11   6     0.00  -0.01  -0.00    -0.00  -0.04  -0.01     0.00  -0.00   0.00
    12   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    13   1     0.03   0.01  -0.01    -0.01   0.00   0.00     0.01   0.01   0.02
    14   1    -0.14  -0.00  -0.01     0.09   0.03   0.00    -0.28   0.12   0.90
    15   1    -0.02  -0.01  -0.03     0.01   0.01   0.01     0.04  -0.02  -0.06
    16   1     0.00   0.03   0.03    -0.00  -0.01  -0.01    -0.00   0.03  -0.03
    17   1     0.02  -0.01   0.00    -0.01   0.00   0.00    -0.01  -0.01  -0.00
    18   1     0.02   0.01  -0.00    -0.01  -0.00  -0.00    -0.01   0.01   0.00
    19   1    -0.02  -0.01   0.03     0.01  -0.00  -0.01     0.01  -0.00   0.01
    20   1     0.01   0.00   0.00    -0.00   0.00  -0.00     0.06   0.06  -0.16
    21   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.09  -0.14  -0.02
    22   1     0.01  -0.02  -0.02    -0.00  -0.00   0.00     0.12  -0.03   0.10
    23   1    -0.48  -0.11   0.09     0.24   0.09  -0.03    -0.00  -0.04  -0.01
    24   1     0.37   0.16  -0.03    -0.41  -0.14   0.05     0.00   0.01   0.00
    25   1     0.02  -0.06  -0.08     0.03  -0.11  -0.13    -0.00   0.00  -0.00
    26   1     0.04  -0.09   0.02     0.06  -0.16   0.03     0.00   0.00   0.00
    27   1    -0.06   0.10   0.04    -0.11   0.19   0.08    -0.00  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3018.7105              3029.3449              3029.5849
 Red. masses --      1.0382                 1.0359                 1.0378
 Frc consts  --      5.5740                 5.6010                 5.6123
 IR Inten    --     35.2990                21.3312                 3.2202
 RamAct Fr= 1--    151.7544               215.8990               194.5085
  Dep-P Fr= 1--      0.0311                 0.0222                 0.0145
  Dep-U Fr= 1--      0.0603                 0.0435                 0.0287
 Alpha2 Fr= 1--      3.1349                 4.5544                 4.1779
 Beta2  Fr= 1--      1.5260                 1.5644                 0.9289
 AlphaG Fr= 1--     -0.8805                 0.2129                -0.5983
 Gamma2 Fr= 1--     -3.2775                 2.6532                -0.4081
 Delta2 Fr= 1--     -2.2306                 0.4268                 1.8817
 Raman1 Fr= 1--     607.018                863.596                778.034
 ROA1   Fr= 1--    -386.024                268.364                 21.036
 CID1   Fr= 1--      -0.636                  0.311                  0.027
 Raman2 Fr= 1--      18.312                 18.773                 11.146
 ROA2   Fr= 1--     -60.816                 60.262                -24.848
 CID2   Fr= 1--      -3.321                  3.210                 -2.229
 Raman3 Fr= 1--      36.623                 37.545                 22.293
 ROA3   Fr= 1--    -386.024                268.364                 21.036
 CID3   Fr= 1--     -10.540                  7.148                  0.944
 RC180  Fr= 1--      -0.879                 -0.913                 -0.943
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.01   0.02  -0.04    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.02    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   6     0.03  -0.04  -0.01    -0.01   0.01   0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.04  -0.02
    12   1     0.03   0.00  -0.03    -0.05  -0.01   0.05     0.00   0.00  -0.00
    13   1     0.01   0.01   0.03    -0.02  -0.02  -0.07     0.00   0.00   0.00
    14   1    -0.08   0.03   0.25     0.02  -0.01  -0.08    -0.00  -0.00   0.00
    15   1     0.01  -0.01  -0.02     0.01  -0.01  -0.02    -0.00   0.00   0.00
    16   1    -0.00   0.01  -0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    17   1    -0.07  -0.12  -0.01    -0.29  -0.46  -0.05     0.01   0.01   0.00
    18   1    -0.06   0.08   0.04    -0.28   0.35   0.19     0.01  -0.01  -0.01
    19   1     0.13  -0.03   0.09     0.50  -0.10   0.37    -0.01   0.00  -0.01
    20   1    -0.16  -0.15   0.43     0.04   0.04  -0.11    -0.00  -0.00   0.00
    21   1     0.30   0.46   0.06    -0.07  -0.11  -0.02     0.00   0.00   0.00
    22   1    -0.45   0.11  -0.34     0.10  -0.03   0.07    -0.00   0.00  -0.00
    23   1    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00   0.00   0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.02  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.02  -0.01    -0.07   0.50  -0.41
    26   1    -0.00  -0.00  -0.00     0.00   0.01   0.02     0.15   0.24   0.60
    27   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.31  -0.20   0.02
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3051.4533              3066.2845              3076.2809
 Red. masses --      1.0575                 1.0594                 1.1011
 Frc consts  --      5.8017                 5.8688                 6.1396
 IR Inten    --     46.2053                22.3661                16.4403
 RamAct Fr= 1--    194.0963               133.4972                54.9356
  Dep-P Fr= 1--      0.1001                 0.0592                 0.6759
  Dep-U Fr= 1--      0.1820                 0.1117                 0.8066
 Alpha2 Fr= 1--      3.3972                 2.5800                 0.0720
 Beta2  Fr= 1--      5.8888                 2.4853                 7.3851
 AlphaG Fr= 1--     -0.0854                 0.2350                 0.0943
 Gamma2 Fr= 1--      2.5240                 3.6216                -2.4187
 Delta2 Fr= 1--     -3.9139                -6.5835                 2.7149
 Raman1 Fr= 1--     776.385                533.989                219.742
 ROA1   Fr= 1--     117.055                137.003               -145.321
 CID1   Fr= 1--       0.151                  0.257                 -0.661
 Raman2 Fr= 1--      70.665                 29.824                 88.621
 ROA2   Fr= 1--      91.886                139.586                -79.769
 CID2   Fr= 1--       1.300                  4.680                 -0.900
 Raman3 Fr= 1--     141.330                 59.648                177.243
 ROA3   Fr= 1--     117.055                137.003               -145.321
 CID3   Fr= 1--       0.828                  2.297                 -0.820
 RC180  Fr= 1--      -0.636                 -0.777                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.00     0.02   0.01   0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.07  -0.03  -0.04
     9   6    -0.06  -0.02  -0.01    -0.01  -0.00   0.01    -0.00  -0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.03  -0.06  -0.01     0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.51   0.08  -0.52     0.13   0.02  -0.12    -0.00   0.00   0.00
    13   1     0.21   0.20   0.58    -0.00  -0.00   0.00     0.01   0.01   0.03
    14   1     0.01  -0.01  -0.05    -0.01   0.00   0.02    -0.00  -0.00   0.01
    15   1     0.03  -0.02  -0.05    -0.42   0.22   0.60    -0.01   0.00   0.01
    16   1    -0.01  -0.10   0.10     0.02   0.43  -0.44     0.00   0.02  -0.02
    17   1    -0.03  -0.05  -0.00    -0.02  -0.02  -0.00    -0.08  -0.13  -0.01
    18   1    -0.02   0.03   0.02     0.02  -0.03  -0.02    -0.01   0.03   0.02
    19   1     0.04  -0.01   0.03     0.05  -0.01   0.04    -0.11   0.03  -0.08
    20   1     0.00   0.00  -0.01     0.01   0.01  -0.02    -0.03  -0.02   0.02
    21   1    -0.03  -0.05  -0.01    -0.01  -0.02  -0.00     0.35   0.57   0.07
    22   1     0.04  -0.01   0.03    -0.01   0.00  -0.00     0.54  -0.16   0.41
    23   1     0.00   0.00   0.00    -0.00   0.01   0.00    -0.00  -0.01  -0.00
    24   1     0.00   0.00   0.00    -0.00  -0.03  -0.01    -0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.3649              3085.1440              3088.1857
 Red. masses --      1.0984                 1.1019                 1.1012
 Frc consts  --      6.1448                 6.1796                 6.1878
 IR Inten    --      8.9887                23.6008                38.2279
 RamAct Fr= 1--     56.3214                53.3512                84.0279
  Dep-P Fr= 1--      0.7466                 0.7148                 0.7450
  Dep-U Fr= 1--      0.8549                 0.8337                 0.8538
 Alpha2 Fr= 1--      0.0032                 0.0325                 0.0072
 Beta2  Fr= 1--      8.0252                 7.4130                11.9578
 AlphaG Fr= 1--      0.0096                -0.0450                 0.0145
 Gamma2 Fr= 1--      0.6879                14.9760                16.3366
 Delta2 Fr= 1--     -1.2119                 6.1538                10.3217
 Raman1 Fr= 1--     225.286                213.405                336.111
 ROA1   Fr= 1--      27.260               1634.618               1898.614
 CID1   Fr= 1--       0.121                  7.660                  5.649
 Raman2 Fr= 1--      96.302                 88.955                143.493
 ROA2   Fr= 1--      26.205                310.193                309.506
 CID2   Fr= 1--       0.272                  3.487                  2.157
 Raman3 Fr= 1--     192.605                177.911                286.986
 ROA3   Fr= 1--      27.260               1634.618               1898.614
 CID3   Fr= 1--       0.142                  9.188                  6.616
 RC180  Fr= 1--       0.710                  0.667                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.08  -0.02  -0.03
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.02   0.05  -0.07    -0.02  -0.01  -0.01
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.02    -0.00   0.00   0.01
    10   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
    11   6    -0.02   0.02  -0.09    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.00  -0.00   0.00     0.07   0.01  -0.06     0.06   0.01  -0.05
    13   1     0.00   0.00   0.00    -0.05  -0.05  -0.14    -0.03  -0.03  -0.08
    14   1    -0.00   0.00   0.00    -0.01   0.00   0.03     0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
    16   1    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.06   0.06
    17   1     0.00   0.00   0.00     0.02   0.04   0.00     0.32   0.53   0.04
    18   1     0.00  -0.00  -0.00    -0.04   0.05   0.03     0.11  -0.16  -0.10
    19   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.54  -0.12   0.42
    20   1     0.00   0.00  -0.00    -0.28  -0.24   0.75     0.01   0.01  -0.02
    21   1     0.00   0.00   0.00    -0.20  -0.31  -0.06     0.08   0.14   0.02
    22   1     0.00  -0.00   0.00     0.28  -0.06   0.19     0.11  -0.03   0.08
    23   1    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.03  -0.01
    24   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    25   1     0.08  -0.56   0.43     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.16   0.27   0.62     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00   0.01  -0.02     0.00   0.00  -0.00     0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3095.0380              3097.5290              3115.2948
 Red. masses --      1.1075                 1.1009                 1.1076
 Frc consts  --      6.2507                 6.2237                 6.3335
 IR Inten    --     15.5652                32.2786                45.9316
 RamAct Fr= 1--    110.3652                26.1395                79.4659
  Dep-P Fr= 1--      0.5901                 0.5831                 0.5920
  Dep-U Fr= 1--      0.7423                 0.7366                 0.7437
 Alpha2 Fr= 1--      0.3287                 0.0817                 0.2336
 Beta2  Fr= 1--     13.6531                 3.2092                 9.8504
 AlphaG Fr= 1--      0.3074                 0.1426                 0.5893
 Gamma2 Fr= 1--    -28.9039                 6.8351                -4.2285
 Delta2 Fr= 1--     -1.0140                -1.6280                -4.2298
 Raman1 Fr= 1--     441.461                104.558                317.864
 ROA1   Fr= 1--   -2807.225                604.072               -541.287
 CID1   Fr= 1--      -6.359                  5.777                 -1.703
 Raman2 Fr= 1--     163.837                 38.510                118.205
 ROA2   Fr= 1--    -685.582                177.066                -67.646
 CID2   Fr= 1--      -4.185                  4.598                 -0.572
 Raman3 Fr= 1--     327.675                 77.021                236.410
 ROA3   Fr= 1--   -2807.225                604.072               -541.287
 CID3   Fr= 1--      -8.567                  7.843                 -2.290
 RC180  Fr= 1--       0.485                  0.473                  0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.03  -0.08  -0.02    -0.00   0.01   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.01  -0.08    -0.00  -0.00  -0.01    -0.01   0.00   0.04
    10   6    -0.01  -0.02   0.04    -0.00  -0.01   0.01    -0.03  -0.02   0.08
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.38  -0.07   0.37    -0.03  -0.01   0.03     0.24   0.04  -0.23
    13   1     0.23   0.21   0.58     0.03   0.03   0.08    -0.10  -0.09  -0.26
    14   1     0.01  -0.00  -0.03     0.00  -0.00  -0.02     0.02  -0.01  -0.07
    15   1     0.11  -0.06  -0.15     0.03  -0.02  -0.05     0.33  -0.19  -0.46
    16   1     0.01   0.28  -0.27     0.00   0.14  -0.13     0.01   0.46  -0.44
    17   1    -0.00   0.01   0.00     0.29   0.42   0.03    -0.03  -0.05  -0.00
    18   1     0.09  -0.12  -0.07    -0.47   0.57   0.34     0.07  -0.08  -0.05
    19   1     0.11  -0.02   0.09    -0.13   0.01  -0.11     0.02  -0.00   0.01
    20   1    -0.05  -0.04   0.14     0.01   0.01  -0.04     0.02   0.01  -0.05
    21   1    -0.04  -0.06  -0.01     0.02   0.03   0.01     0.01   0.01   0.00
    22   1     0.05  -0.01   0.03    -0.01   0.00  -0.00    -0.01   0.00  -0.01
    23   1     0.00   0.01   0.00    -0.00  -0.03  -0.01     0.00   0.00   0.00
    24   1     0.00   0.01   0.00    -0.00   0.00   0.00     0.00   0.04   0.01
    25   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3132.4104              3145.4259              3162.4221
 Red. masses --      1.0876                 1.1009                 1.0885
 Frc consts  --      6.2873                 6.4172                 6.4137
 IR Inten    --      2.4319                13.2164                 9.7929
 RamAct Fr= 1--     60.7523                94.7654                33.3682
  Dep-P Fr= 1--      0.1784                 0.5306                 0.2562
  Dep-U Fr= 1--      0.3028                 0.6933                 0.4078
 Alpha2 Fr= 1--      0.8731                 0.4026                 0.3887
 Beta2  Fr= 1--      3.0660                10.9498                 2.2681
 AlphaG Fr= 1--      0.4484                 0.2042                -0.4156
 Gamma2 Fr= 1--     -0.5539                 3.0043                 1.0859
 Delta2 Fr= 1--     -0.2183                 1.9856                 2.3630
 Raman1 Fr= 1--     243.009                379.062                133.473
 ROA1   Fr= 1--     -60.164                351.956                179.862
 CID1   Fr= 1--      -0.248                  0.928                  1.348
 Raman2 Fr= 1--      36.792                131.398                 27.218
 ROA2   Fr= 1--     -11.547                 56.220                  7.157
 CID2   Fr= 1--      -0.314                  0.428                  0.263
 Raman3 Fr= 1--      73.584                262.796                 54.436
 ROA3   Fr= 1--     -60.164                351.956                179.862
 CID3   Fr= 1--      -0.818                  1.339                  3.304
 RC180  Fr= 1--      -0.394                  0.387                 -0.184
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.08  -0.02     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     5   6    -0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.08  -0.02
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.07  -0.06  -0.00    -0.00  -0.00  -0.00
    12   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.01   0.00   0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.03   0.02   0.04
    16   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    17   1     0.02   0.03   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    20   1     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.01   0.02   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   1     0.12   0.95   0.24     0.00   0.01   0.00     0.01   0.09   0.02
    24   1    -0.01  -0.08  -0.02    -0.00  -0.05  -0.01     0.06   0.96   0.25
    25   1     0.00  -0.00   0.00    -0.04   0.19  -0.16    -0.00   0.02  -0.02
    26   1    -0.00  -0.00  -0.00     0.05   0.08   0.23     0.00   0.01   0.02
    27   1    -0.01  -0.01   0.00     0.79   0.49  -0.05     0.03   0.02  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   808.577473413.420373717.07857
           X            0.99972  -0.02293  -0.00628
           Y            0.02295   0.99973   0.00378
           Z            0.00619  -0.00392   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10712     0.02537     0.02330
 Rotational constants (GHZ):           2.23200     0.52872     0.48553
 Zero-point vibrational energy     621400.4 (Joules/Mol)
                                  148.51826 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.36   103.22   120.24   165.64   195.56
          (Kelvin)            231.06   308.76   348.55   364.88   387.10
                              406.13   508.63   535.01   579.39   691.22
                              778.35   834.87   857.16   917.53  1068.50
                             1128.72  1242.56  1259.52  1289.75  1319.93
                             1364.47  1381.83  1393.05  1410.66  1443.29
                             1452.82  1474.15  1510.44  1568.23  1663.48
                             1686.87  1705.56  1724.08  1762.32  1792.37
                             1823.78  1845.84  1886.41  1906.89  1931.30
                             1983.24  1994.10  2024.11  2048.61  2107.53
                             2121.23  2133.00  2135.77  2149.03  2160.99
                             2165.75  2170.10  2409.91  2537.00  4336.08
                             4343.25  4358.55  4358.90  4390.36  4411.70
                             4426.08  4433.40  4438.83  4443.21  4453.07
                             4456.65  4482.21  4506.84  4525.57  4550.02
 
 Zero-point correction=                           0.236679 (Hartree/Particle)
 Thermal correction to Energy=                    0.249236
 Thermal correction to Enthalpy=                  0.250180
 Thermal correction to Gibbs Free Energy=         0.197628
 Sum of electronic and zero-point Energies=           -465.874871
 Sum of electronic and thermal Energies=              -465.862314
 Sum of electronic and thermal Enthalpies=            -465.861370
 Sum of electronic and thermal Free Energies=         -465.913922
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.398             46.454            110.604
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.707
 Vibrational            154.620             40.493             38.929
 Vibration     1          0.594              1.983              5.563
 Vibration     2          0.598              1.967              4.105
 Vibration     3          0.600              1.960              3.805
 Vibration     4          0.608              1.937              3.181
 Vibration     5          0.614              1.917              2.860
 Vibration     6          0.622              1.891              2.543
 Vibration     7          0.645              1.819              2.004
 Vibration     8          0.658              1.776              1.786
 Vibration     9          0.665              1.757              1.705
 Vibration    10          0.673              1.730              1.602
 Vibration    11          0.681              1.706              1.520
 Vibration    12          0.730              1.568              1.150
 Vibration    13          0.744              1.530              1.072
 Vibration    14          0.768              1.464              0.953
 Vibration    15          0.837              1.293              0.709
 Vibration    16          0.896              1.159              0.563
 Vibration    17          0.937              1.074              0.485
 Vibration    18          0.954              1.041              0.457
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.125162D-90        -90.902527       -209.310803
 Total V=0       0.916473D+18         17.962120         41.359309
 Vib (Bot)       0.148026-104       -104.829663       -241.379219
 Vib (Bot)    1  0.603301D+01          0.780534          1.797247
 Vib (Bot)    2  0.287398D+01          0.458483          1.055697
 Vib (Bot)    3  0.246287D+01          0.391442          0.901329
 Vib (Bot)    4  0.177706D+01          0.249703          0.574962
 Vib (Bot)    5  0.149757D+01          0.175386          0.403842
 Vib (Bot)    6  0.125865D+01          0.099905          0.230039
 Vib (Bot)    7  0.923789D+00         -0.034427         -0.079271
 Vib (Bot)    8  0.808556D+00         -0.092290         -0.212505
 Vib (Bot)    9  0.768265D+00         -0.114489         -0.263621
 Vib (Bot)   10  0.718670D+00         -0.143471         -0.330353
 Vib (Bot)   11  0.680291D+00         -0.167305         -0.385235
 Vib (Bot)   12  0.520699D+00         -0.283413         -0.652582
 Vib (Bot)   13  0.488988D+00         -0.310702         -0.715417
 Vib (Bot)   14  0.441734D+00         -0.354840         -0.817048
 Vib (Bot)   15  0.348000D+00         -0.458421         -1.055553
 Vib (Bot)   16  0.292593D+00         -0.533737         -1.228974
 Vib (Bot)   17  0.262537D+00         -0.580809         -1.337362
 Vib (Bot)   18  0.251730D+00         -0.599064         -1.379397
 Vib (V=0)       0.108389D+05          4.034983          9.290893
 Vib (V=0)    1  0.655370D+01          0.816486          1.880030
 Vib (V=0)    2  0.341715D+01          0.533664          1.228806
 Vib (V=0)    3  0.301311D+01          0.479016          1.102974
 Vib (V=0)    4  0.234606D+01          0.370340          0.852739
 Vib (V=0)    5  0.207883D+01          0.317819          0.731806
 Vib (V=0)    6  0.185433D+01          0.268186          0.617521
 Vib (V=0)    7  0.155042D+01          0.190450          0.438527
 Vib (V=0)    8  0.145066D+01          0.161567          0.372022
 Vib (V=0)    9  0.141664D+01          0.151260          0.348289
 Vib (V=0)   10  0.137549D+01          0.138458          0.318811
 Vib (V=0)   11  0.134427D+01          0.128487          0.295853
 Vib (V=0)   12  0.122189D+01          0.087033          0.200400
 Vib (V=0)   13  0.119936D+01          0.078951          0.181791
 Vib (V=0)   14  0.116718D+01          0.067138          0.154590
 Vib (V=0)   15  0.110918D+01          0.045003          0.103624
 Vib (V=0)   16  0.107932D+01          0.033150          0.076330
 Vib (V=0)   17  0.106474D+01          0.027242          0.062726
 Vib (V=0)   18  0.105979D+01          0.025221          0.058074
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.114657D+07          6.059402         13.952289
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001894   -0.000000058    0.000000503
      2        6          -0.000002077   -0.000001999   -0.000006228
      3        6           0.000000384    0.000000065    0.000007651
      4        6           0.000000217   -0.000000087   -0.000001656
      5        6          -0.000000359    0.000000185    0.000000581
      6        6          -0.000000498    0.000000281   -0.000001469
      7        8           0.000000459    0.000002700   -0.000003676
      8        6           0.000001214   -0.000000493    0.000001271
      9        6           0.000006648    0.000001630    0.000002585
     10        6          -0.000003629   -0.000000788   -0.000000086
     11        6           0.000001856    0.000001215    0.000002280
     12        1          -0.000000147   -0.000001215    0.000002219
     13        1          -0.000002750   -0.000002514    0.000001507
     14        1           0.000001361    0.000002209   -0.000000889
     15        1           0.000001162   -0.000000593    0.000001729
     16        1           0.000001157   -0.000000197    0.000002066
     17        1          -0.000001205   -0.000000979   -0.000001196
     18        1          -0.000001429   -0.000000967    0.000000216
     19        1          -0.000001986   -0.000002231    0.000000728
     20        1          -0.000000155    0.000000606    0.000000203
     21        1          -0.000000370    0.000000496   -0.000000952
     22        1          -0.000001759   -0.000000350    0.000000024
     23        1           0.000000247    0.000001157   -0.000001267
     24        1           0.000000399    0.000000245   -0.000000096
     25        1           0.000000073   -0.000000007   -0.000001950
     26        1          -0.000000581    0.000000580   -0.000002111
     27        1          -0.000000127    0.000001109   -0.000001985
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007651 RMS     0.000001912
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168366D+03 -0.332526D+01 -0.557493D+01
      2  -0.332526D+01  0.120290D+03  0.222879D+01
      3  -0.557493D+01  0.222879D+01  0.102895D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.536190D+00  0.503596D+01 -0.761778D+01
      2   0.362460D+02 -0.109115D+02  0.308898D+02
      3   0.234441D+02 -0.130609D+02  0.123352D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.659143D+02 -0.131657D+02  0.215489D+02
      2   0.154442D+02  0.186662D+02 -0.328330D+02
      3   0.504702D+02 -0.550052D+01  0.112841D+02
      4   0.656001D+01  0.246063D+02 -0.229000D+02
      5   0.303707D+02 -0.245180D+02  0.784347D+02
      6  -0.293187D+01 -0.330378D+01  0.134913D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.330446D+01  0.120309D+01 -0.400478D+01  0.306666D+00  0.367142D+01
      2   0.120309D+01  0.370074D+01  0.225870D+01  0.367142D+01  0.221362D+01
      3  -0.400478D+01  0.225870D+01 -0.354793D+01  0.221328D+01 -0.160314D+01
                 6             7             8             9            10 
      1   0.221328D+01 -0.338226D+01  0.271735D+01 -0.324964D+01  0.223642D+02
      2  -0.160314D+01  0.271735D+01 -0.881506D+00 -0.103626D+01 -0.240151D+01
      3  -0.174291D+01 -0.324964D+01 -0.103626D+01  0.999420D+00  0.363057D+01
                11            12            13            14            15 
      1  -0.240151D+01  0.363057D+01 -0.106851D+02 -0.248283D+01 -0.286635D+01
      2  -0.275327D+01 -0.224561D+01 -0.248283D+01 -0.459252D+01  0.112294D+01
      3  -0.224561D+01  0.358997D+01 -0.286635D+01  0.112294D+01  0.115548D+01
                16            17            18            19            20 
      1   0.140038D+02 -0.322770D+01  0.558270D+01 -0.370569D+02  0.231943D+01
      2  -0.322770D+01  0.213644D+01  0.712124D+00  0.231943D+01 -0.237387D+01
      3   0.558270D+01  0.712124D+00 -0.270126D+01 -0.177984D+00  0.101808D+01
                21            22            23            24            25 
      1  -0.177984D+00  0.911066D+01 -0.217414D+01  0.223983D+01 -0.533887D+01
      2   0.101808D+01 -0.217414D+01 -0.212440D+01 -0.167455D+01  0.219613D+01
      3  -0.300090D+01  0.223983D+01 -0.167455D+01  0.200068D+01 -0.667512D+01
                26            27            28            29            30 
      1   0.219613D+01 -0.667512D+01  0.551151D+02 -0.664088D+00 -0.326370D+01
      2  -0.250029D+01  0.140471D+01 -0.664088D+00  0.185051D+01 -0.719674D+00
      3   0.140471D+01  0.498402D+01 -0.326370D+01 -0.719674D+00  0.250370D+01
                31            32            33            34            35 
      1  -0.134282D+02  0.201239D+01  0.951015D-01 -0.134979D+02 -0.147583D+01
      2   0.201239D+01  0.248268D+01  0.140813D+01 -0.147583D+01  0.891499D+00
      3   0.951015D-01  0.140813D+01 -0.130242D+01  0.653661D+01 -0.216714D+00
                36            37            38            39            40 
      1   0.653661D+01 -0.505672D+02 -0.254912D+01  0.328456D+01  0.131352D+02
      2  -0.216714D+00 -0.254912D+01 -0.110198D+01  0.903943D+00 -0.382543D+01
      3  -0.430071D+01  0.328456D+01  0.903943D+00 -0.174097D+01 -0.696722D+00
                41            42            43            44            45 
      1  -0.382543D+01 -0.696722D+00  0.148855D+02  0.129380D+01 -0.511250D+01
      2  -0.195787D+01 -0.132775D+01  0.129380D+01 -0.131753D+01  0.779254D+00
      3  -0.132775D+01  0.218422D+01 -0.511250D+01  0.779254D+00  0.233649D+01
                46            47            48            49            50 
      1   0.181095D+02  0.300872D+01 -0.154922D+01  0.220559D+02  0.888360D+01
      2   0.300872D+01 -0.795598D-01  0.394778D+00  0.888360D+01  0.597027D+01
      3  -0.154922D+01  0.394778D+00 -0.799570D+00  0.357707D+00  0.285452D+00
                51            52            53            54            55 
      1   0.357707D+00  0.208701D+01  0.221454D+01 -0.787885D+00 -0.642224D+01
      2   0.285452D+00  0.221454D+01  0.101935D+01  0.694597D+00 -0.324009D+01
      3  -0.543741D+00 -0.787885D+00  0.694597D+00  0.689536D+00 -0.410132D+00
                56            57            58            59            60 
      1  -0.324009D+01 -0.410132D+00 -0.240962D+02 -0.100955D+02  0.366836D+00
      2  -0.160763D+01 -0.574226D+00 -0.100955D+02 -0.111687D+02 -0.654142D+00
      3  -0.574226D+00 -0.383601D+00  0.366836D+00 -0.654142D+00 -0.136913D+01
                61            62            63            64            65 
      1  -0.572565D+01 -0.219230D+01 -0.170326D+01 -0.597194D+01  0.187523D+01
      2  -0.219230D+01 -0.107969D+01 -0.283243D+01  0.187523D+01  0.334913D+01
      3  -0.170326D+01 -0.283243D+01 -0.130622D+01 -0.248344D+01  0.276426D+01
                66            67            68            69            70 
      1  -0.248344D+01  0.138018D+01  0.255644D+01  0.296167D+01 -0.451424D+01
      2   0.276426D+01  0.255644D+01  0.342821D+01 -0.214601D+00  0.295905D+01
      3  -0.284170D+01  0.296167D+01 -0.214601D+00 -0.186555D+01 -0.392933D+01
                71            72            73            74            75 
      1   0.295905D+01 -0.392933D+01 -0.223643D+01 -0.247254D+01  0.172394D+01
      2  -0.781573D+00 -0.892522D+00 -0.247254D+01  0.217673D+01 -0.752340D+00
      3  -0.892522D+00  0.423961D+01  0.172394D+01 -0.752340D+00 -0.277205D+01
                76            77            78            79            80 
      1  -0.338781D+01  0.252544D+01 -0.169130D+01 -0.316942D+00 -0.130234D+01
      2   0.252544D+01  0.612014D+01 -0.364967D+00 -0.130234D+01 -0.889866D+00
      3  -0.169130D+01 -0.364967D+00 -0.158983D+01 -0.489244D+01 -0.237429D+01
                81            82            83            84            85 
      1  -0.489244D+01 -0.370270D+01  0.203154D+01 -0.242736D+01  0.289443D+01
      2  -0.237429D+01  0.203154D+01  0.177980D+01  0.165014D+01  0.247181D+01
      3  -0.153832D+01 -0.242736D+01  0.165014D+01  0.844685D+00  0.128703D+01
                86            87            88            89            90 
      1   0.247181D+01  0.128703D+01 -0.249428D+01  0.179363D+01  0.133485D+01
      2  -0.886281D+00  0.307150D+01  0.179363D+01  0.421526D+01 -0.245093D+01
      3   0.307150D+01 -0.193502D+01  0.133485D+01 -0.245093D+01 -0.493676D+00
                91            92            93            94            95 
      1   0.214239D+01  0.481131D+01  0.879951D+00  0.786948D+01  0.252357D+01
      2   0.481131D+01  0.507978D+00 -0.168771D+01  0.252357D+01 -0.383575D+01
      3   0.879951D+00 -0.168771D+01 -0.130121D+01 -0.178358D+01  0.907219D+00
                96            97            98            99           100 
      1  -0.178358D+01  0.177076D+01 -0.176272D+01 -0.102525D+00  0.643495D+01
      2   0.907219D+00 -0.176272D+01  0.141331D+01 -0.372769D+01  0.184879D+01
      3  -0.310167D+01 -0.102525D+00 -0.372769D+01 -0.323172D+01 -0.263331D+01
               101           102           103           104           105 
      1   0.184879D+01 -0.263331D+01  0.648996D+00  0.940434D+00 -0.249959D+00
      2   0.144376D+01 -0.574077D+00  0.940434D+00  0.374638D+00 -0.555801D+00
      3  -0.574077D+00  0.216965D+01 -0.249959D+00 -0.555801D+00  0.467099D+00
               106           107           108           109           110 
      1  -0.480239D+01 -0.955029D+00  0.295828D+01  0.265861D+01  0.152872D+01
      2  -0.955029D+00 -0.147980D+01  0.115665D+01  0.152872D+01  0.804234D+00
      3   0.295828D+01  0.115665D+01 -0.258497D+01  0.169728D+01  0.826468D+00
               111           112           113           114           115 
      1   0.169728D+01  0.791510D+00  0.126028D+01  0.982674D+00  0.429887D+01
      2   0.826468D+00  0.126028D+01  0.139999D+01  0.137665D+01  0.200670D+01
      3   0.189073D+01  0.982674D+00  0.137665D+01  0.137875D+01  0.399009D+01
               116           117           118           119           120 
      1   0.200670D+01  0.399009D+01  0.571279D+01 -0.714579D+00 -0.180116D+01
      2   0.253262D+01  0.229412D+01 -0.714579D+00  0.502084D+00 -0.106027D-01
      3   0.229412D+01  0.537630D+01 -0.180116D+01 -0.106027D-01  0.191310D+01
               121           122           123           124           125 
      1  -0.448496D+01  0.828813D+00  0.287096D-01 -0.353273D+01 -0.235497D+00
      2   0.828813D+00 -0.715389D-01 -0.942615D+00 -0.235497D+00 -0.120921D+01
      3   0.287096D-01 -0.942615D+00 -0.102607D+01  0.352658D+01 -0.790628D+00
               126           127           128           129           130 
      1   0.352658D+01 -0.146182D+01  0.449650D+00  0.113564D+01  0.528578D+00
      2  -0.790628D+00  0.449650D+00 -0.164985D+01 -0.823801D+00 -0.947185D+00
      3  -0.837944D+01  0.113564D+01 -0.823801D+00 -0.133915D+01 -0.544761D+00
               131           132           133           134           135 
      1  -0.947185D+00 -0.544761D+00  0.196746D+01 -0.772638D+00 -0.102362D+01
      2   0.200741D+01  0.763497D+00 -0.772638D+00  0.187565D+01  0.165051D+01
      3   0.763497D+00  0.106935D+01 -0.102362D+01  0.165051D+01  0.283905D+01
               136           137           138           139           140 
      1   0.725085D+00  0.995263D+00 -0.372095D+00  0.305926D+00  0.132464D+00
      2   0.995263D+00 -0.170483D-01 -0.117608D+00  0.132464D+00  0.717643D+01
      3  -0.372095D+00 -0.117608D+00 -0.763087D-01 -0.121189D+00 -0.334517D+01
               141           142           143           144           145 
      1  -0.121189D+00 -0.933773D+00 -0.293268D+00 -0.238391D+00 -0.197225D+01
      2  -0.334517D+01 -0.293268D+00 -0.487880D+01  0.340814D+01 -0.162375D+01
      3   0.234125D+01 -0.238391D+00  0.340814D+01 -0.315273D+01  0.533382D+00
               146           147           148           149           150 
      1  -0.162375D+01  0.533382D+00 -0.154855D+01 -0.209033D+01  0.169266D+00
      2  -0.272273D+01  0.487424D+00 -0.209033D+01 -0.572135D+01  0.141074D+01
      3   0.487424D+00 -0.725910D+00  0.169266D+00  0.141074D+01 -0.149873D+01
               151           152           153           154           155 
      1  -0.335511D+00 -0.641353D-01 -0.230531D+00 -0.216280D+01  0.951524D+00
      2  -0.641353D-01  0.247663D-01 -0.541507D+00  0.951524D+00 -0.156886D+01
      3  -0.230531D+00 -0.541507D+00  0.237879D+00  0.130388D+01 -0.713686D+00
               156           157           158           159           160 
      1   0.130388D+01  0.148548D+01 -0.141761D+01 -0.887198D+00  0.103323D+01
      2  -0.713686D+00 -0.141761D+01  0.217502D+01  0.115249D+01 -0.736907D+00
      3  -0.165241D+01 -0.887198D+00  0.115249D+01  0.249227D+01 -0.919558D+00
               161           162           163           164           165 
      1  -0.736907D+00 -0.919558D+00  0.537447D+01 -0.142972D+01  0.376152D+01
      2   0.107159D+01  0.115004D+01 -0.142972D+01  0.116457D+01 -0.141309D+01
      3   0.115004D+01  0.243318D+01  0.376152D+01 -0.141309D+01  0.440354D+01
               166           167           168           169           170 
      1  -0.481231D+00  0.668407D+00 -0.738299D+00  0.240824D+01 -0.103472D+01
      2   0.668407D+00 -0.110042D+01  0.118674D+01 -0.103472D+01  0.102180D+01
      3  -0.738299D+00  0.118674D+01 -0.695745D+00  0.311918D+01 -0.117825D+01
               171           172           173           174           175 
      1   0.311918D+01  0.241929D+01 -0.170601D+00 -0.161193D+01  0.105952D+01
      2  -0.117825D+01 -0.170601D+00  0.104939D+00 -0.236475D+00 -0.320286D-01
      3   0.450973D+01 -0.161193D+01 -0.236475D+00  0.216890D+01 -0.887865D+00
               176           177           178           179           180 
      1  -0.320286D-01 -0.887865D+00 -0.250602D+01  0.111340D+00  0.326866D+01
      2   0.423909D+00 -0.772563D+00  0.111340D+00 -0.139698D+01  0.119218D-01
      3  -0.772563D+00  0.154973D+01  0.326866D+01  0.119218D-01 -0.677468D+01
               181           182           183           184           185 
      1  -0.103033D+01 -0.108296D+01  0.728245D-01 -0.156243D+01 -0.628879D+00
      2  -0.108296D+01 -0.345330D+01 -0.816957D+00 -0.628879D+00 -0.787122D+01
      3   0.728245D-01 -0.816957D+00 -0.605864D+00 -0.219007D+00 -0.125368D+01
               186           187           188           189           190 
      1  -0.219007D+00  0.334063D+00 -0.417169D+00  0.188615D+00  0.808870D+01
      2  -0.125368D+01 -0.417169D+00 -0.737790D+00 -0.102979D+01 -0.314815D+01
      3  -0.114096D+01  0.188615D+00 -0.102979D+01 -0.868333D+00  0.208409D+01
               191           192           193           194           195 
      1  -0.314815D+01  0.208409D+01 -0.141975D+01  0.161000D+01 -0.746755D+00
      2   0.183244D+01 -0.848025D+00  0.161000D+01 -0.182129D+01  0.555272D+00
      3  -0.848025D+00  0.193030D+01 -0.746755D+00  0.555272D+00 -0.292415D+00
               196           197           198           199           200 
      1   0.498849D+01 -0.205729D+01  0.233390D+01  0.274400D+00 -0.897829D+00
      2  -0.205729D+01  0.181856D+01 -0.784943D+00 -0.897829D+00 -0.400199D+00
      3   0.233390D+01 -0.784943D+00  0.163448D+01 -0.577103D+00 -0.120963D+00
               201           202           203           204           205 
      1  -0.577103D+00 -0.197076D+01 -0.526909D-01  0.269962D+00 -0.195365D+01
      2  -0.120963D+00 -0.526909D-01 -0.565472D+01 -0.166260D+01  0.372391D+00
      3  -0.369896D-01  0.269962D+00 -0.166260D+01 -0.150895D+01 -0.782571D+00
               206           207           208           209           210 
      1   0.372391D+00 -0.782571D+00 -0.885247D+00  0.125938D+01  0.579640D+00
      2  -0.126374D+01 -0.112340D+01  0.125938D+01  0.189034D+00 -0.128878D+00
      3  -0.112340D+01 -0.734967D+00  0.579640D+00 -0.128878D+00 -0.163920D+00
               211           212           213           214           215 
      1   0.213379D+01 -0.314716D+00 -0.316094D+00  0.806460D+00 -0.476680D+00
      2  -0.314716D+00  0.578085D+01  0.112912D+01 -0.476680D+00  0.135927D+01
      3  -0.316094D+00  0.112912D+01  0.879258D+00  0.361984D+00  0.574912D+00
               216           217           218           219           220 
      1   0.361984D+00 -0.249602D+01  0.505214D+00 -0.728389D+00  0.317551D+01
      2   0.574912D+00  0.505214D+00 -0.659557D+00  0.568378D+00 -0.297471D+01
      3   0.183656D+00 -0.728389D+00  0.568378D+00 -0.258383D+00  0.411139D+00
               221           222           223           224           225 
      1  -0.297471D+01  0.411139D+00 -0.247624D+01  0.165094D+01 -0.106333D+01
      2   0.606793D+01 -0.175294D+01  0.165094D+01 -0.307066D+01  0.229042D+01
      3  -0.175294D+01  0.236587D+01 -0.106333D+01  0.229042D+01 -0.186538D+01
               226           227           228           229           230 
      1  -0.557130D+00 -0.386482D+00  0.557369D+00  0.120022D+01 -0.118329D+01
      2  -0.386482D+00  0.536838D+00  0.618294D+00 -0.118329D+01  0.257980D+01
      3   0.557369D+00  0.618294D+00  0.984492D+00 -0.305386D+00  0.165894D+01
               231           232           233           234           235 
      1  -0.305386D+00  0.300169D+01 -0.601984D+00 -0.135103D+01 -0.959216D+01
      2   0.165894D+01 -0.601984D+00  0.216609D+01  0.288019D+01 -0.200644D+01
      3   0.236470D+01 -0.135103D+01  0.288019D+01  0.689399D+01  0.795951D+00
               236           237           238           239           240 
      1  -0.200644D+01  0.795951D+00 -0.501710D+01 -0.186576D+01  0.671248D+00
      2  -0.155493D+01  0.293265D+00 -0.186576D+01 -0.139481D+01  0.958269D-01
      3   0.293265D+00 -0.115221D+01  0.671248D+00  0.958269D-01 -0.635531D+00
               241           242           243 
      1   0.224824D+00  0.290334D+00 -0.113972D+01
      2   0.290334D+00 -0.587781D-01 -0.282300D-01
      3  -0.113972D+01 -0.282300D-01  0.575058D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.253025D+01  0.108309D+02  0.171272D+01  0.108520D+02  0.388306D+01
      2  -0.739656D+01  0.649048D+00  0.464536D+01  0.242295D+01 -0.110819D+02
      3  -0.102051D+01 -0.100062D+02  0.839849D+00 -0.539339D+01 -0.811224D+01
                 6             7             8             9            10 
      1  -0.791381D+01  0.217062D+01 -0.159394D+01 -0.326298D+01  0.606588D+01
      2  -0.770912D+01 -0.162316D+01 -0.640116D+01  0.740659D+01  0.261911D+02
      3  -0.238230D+00 -0.152093D+01 -0.794256D+00  0.455072D+01  0.422137D+01
                11            12            13            14            15 
      1  -0.505762D+01  0.200579D+01 -0.354710D+01 -0.187523D+00 -0.342456D+01
      2  -0.722431D+01  0.125338D+02 -0.162857D+02  0.521909D+01  0.295610D+01
      3   0.555262D+01  0.243820D+01  0.116201D+02  0.151992D+02 -0.136089D+01
                16            17            18            19            20 
      1   0.988538D+00  0.575739D+01 -0.117481D+01 -0.761968D+01  0.321625D+01
      2   0.150383D+02  0.243041D+01 -0.378064D+01 -0.272860D+02  0.391599D+01
      3   0.462887D+01 -0.501258D+00 -0.400150D+01 -0.592241D+01 -0.406462D+01
                21            22            23            24            25 
      1  -0.240748D+01  0.189885D+01  0.594089D+01 -0.974245D+00 -0.181546D+01
      2   0.452716D+00  0.123965D+02 -0.397995D+01  0.437030D+01 -0.195455D+02
      3   0.532262D+00  0.909725D+01 -0.112990D+01  0.105636D+01  0.889043D+00
                26            27            28            29            30 
      1   0.419548D+01 -0.311051D+01  0.721913D+01 -0.774869D+00  0.122462D+01
      2   0.326540D+01 -0.328878D+01  0.315204D+02  0.812034D-01 -0.771016D+01
      3   0.130051D+01 -0.139554D+01  0.125044D+02  0.366009D+01 -0.265609D+01
                31            32            33            34            35 
      1   0.157859D+01 -0.328419D+01 -0.487078D+00 -0.213624D+01  0.264372D+01
      2  -0.709712D+01  0.127107D+01  0.650181D+00 -0.395975D+02 -0.575241D+00
      3   0.113124D+02  0.114446D+01 -0.332017D+00 -0.773518D+01 -0.206862D+01
                36            37            38            39            40 
      1   0.278597D+01 -0.228496D+01  0.499788D-01  0.145875D+00  0.292412D+01
      2   0.837723D+01 -0.307431D+02 -0.226856D+01  0.109766D+02  0.720994D+01
      3   0.180392D+01 -0.225884D+02 -0.122056D+02  0.263580D+01  0.102015D+02
                41            42            43            44            45 
      1  -0.778416D+00 -0.271158D+00  0.882915D+01  0.489664D+01 -0.119604D+01
      2  -0.230661D+00 -0.139399D+01  0.171186D+02 -0.162823D+01 -0.863094D+01
      3  -0.426005D+01 -0.331377D+01  0.750995D+01 -0.629165D+00 -0.400878D+00
                46            47            48            49            50 
      1  -0.103989D+01  0.275697D+01 -0.178350D+01  0.324667D+01 -0.183661D+01
      2   0.533843D+01  0.422922D+01 -0.119167D+02  0.111634D+02  0.148859D+01
      3   0.449434D+01  0.537122D+01 -0.124272D+01  0.403177D+02  0.260126D+02
                51            52            53            54            55 
      1   0.413705D+01  0.382981D+01  0.768465D+01  0.353976D+01  0.208974D+01
      2  -0.678907D+01 -0.245152D+02 -0.724865D+00  0.426723D+01 -0.667930D+00
      3  -0.145135D+01  0.725461D+00  0.323403D+01  0.207424D+01 -0.294509D+01
                56            57            58            59            60 
      1  -0.468692D+00 -0.167315D+00 -0.708239D+00  0.373493D+00 -0.923519D+01
      2   0.762077D-01  0.752990D+01 -0.108299D+02 -0.985863D+00  0.115762D+02
      3  -0.941609D+01 -0.176979D+01 -0.229281D+02 -0.421394D+02 -0.196453D+01
                61            62            63            64            65 
      1   0.238199D+00  0.967132D+00 -0.225514D+01 -0.522135D+01  0.374010D+01
      2   0.599988D+01  0.686597D+01  0.275661D+01 -0.107257D+02  0.107328D+02
      3  -0.454596D+01 -0.511438D+01 -0.794368D+01  0.211243D+01 -0.178552D+02
                66            67            68            69            70 
      1  -0.740731D+01  0.365933D+01 -0.313196D+01 -0.432370D+01 -0.103969D+02
      2  -0.921230D+01  0.950422D+01  0.576603D+00 -0.372493D+01 -0.174605D+02
      3  -0.582012D+01 -0.667910D+01 -0.192405D+02 -0.446289D+01 -0.464828D+01
                71            72            73            74            75 
      1   0.149551D+01  0.855862D+01 -0.421466D+01  0.327391D+01  0.375191D+01
      2  -0.131274D+00  0.117067D+02  0.254125D+01 -0.148711D+01 -0.865642D+01
      3  -0.420909D+01  0.933142D+01  0.907842D+01 -0.159226D+02  0.765435D+01
                76            77            78            79            80 
      1   0.221349D+01  0.340838D+01  0.672922D+00  0.792159D+01  0.637904D+01
      2  -0.478466D+01 -0.189721D+01 -0.581836D+01 -0.220011D+02 -0.890380D+01
      3  -0.858969D+01 -0.164071D+02 -0.259985D-01  0.814983D+01 -0.100607D+01
                81            82            83            84            85 
      1   0.196575D+01  0.534861D+01 -0.608871D+01 -0.255639D+01 -0.848325D+01
      2  -0.591235D+01 -0.466682D+01  0.261763D+01  0.236808D+01  0.525581D+01
      3   0.213629D+01 -0.123953D+02 -0.422277D+00 -0.890748D+01  0.737240D+01
                86            87            88            89            90 
      1  -0.103041D+02  0.834289D+00 -0.218920D+01  0.820787D+01  0.133486D+01
      2   0.414001D+01 -0.928422D+00 -0.178895D+01 -0.143810D+00 -0.277404D+00
      3   0.533769D+01  0.849328D+00 -0.117371D+02  0.274748D+00  0.638905D+01
                91            92            93            94            95 
      1   0.796163D+00  0.147501D+01  0.233693D+01  0.436953D+01 -0.352109D+01
      2  -0.508941D+01  0.568520D+01  0.115228D+02  0.741776D+01 -0.556490D+01
      3   0.202743D+02  0.191598D+01 -0.617367D+01  0.185315D+02 -0.141795D+02
                96            97            98            99           100 
      1   0.126391D+01 -0.604375D+01  0.866415D+01  0.184131D+01  0.369299D+01
      2   0.125485D+02 -0.902502D+01  0.208681D+02  0.153780D+02 -0.804278D+01
      3   0.223831D+01 -0.612399D+01  0.559694D+01 -0.166456D+02  0.368991D+01
               101           102           103           104           105 
      1  -0.257667D+00 -0.357502D+01  0.490640D+00  0.594365D+00 -0.164821D+01
      2  -0.155160D+01  0.926093D+01 -0.117110D+01 -0.155225D+01  0.178447D+01
      3  -0.401045D+01 -0.192710D+01  0.185791D+00  0.565907D+00  0.133315D+01
               106           107           108           109           110 
      1  -0.382126D+01  0.219723D+00  0.398869D+01 -0.189897D+01 -0.138824D+00
      2   0.688102D+01  0.310792D+01 -0.885665D+01  0.285487D+01  0.225069D+01
      3  -0.371287D+01  0.491617D+01  0.482195D+00  0.135622D+00 -0.204838D+01
               111           112           113           114           115 
      1  -0.292298D+01 -0.163844D+01 -0.116642D+01 -0.280679D+01 -0.475772D+01
      2   0.708682D+01  0.162240D+01  0.435770D+01  0.470592D+01  0.919003D+01
      3  -0.363017D+00 -0.738028D-01 -0.275848D+01 -0.257070D+01 -0.198528D+00
               116           117           118           119           120 
      1   0.699573D+00 -0.796492D+01  0.831314D+00 -0.142291D+01 -0.362691D+00
      2   0.673724D+01  0.172878D+02  0.425967D+01 -0.113056D+01  0.137122D+01
      3  -0.697102D+01 -0.188659D+01  0.142882D+01 -0.174473D+01 -0.634768D+00
               121           122           123           124           125 
      1  -0.269380D+01 -0.423710D-01  0.407402D+00  0.960755D+00  0.407917D+01
      2  -0.478370D+01  0.459963D+00 -0.742569D+00 -0.332370D+01 -0.837185D+00
      3   0.122121D+01 -0.244088D+00  0.545426D+00 -0.798933D+00  0.162485D+01
               126           127           128           129           130 
      1   0.299350D+01 -0.313945D+01  0.185381D+01  0.415605D+01  0.173519D+01
      2  -0.441729D+01  0.239303D+01 -0.820033D+00 -0.335162D+00 -0.107044D+01
      3   0.114279D+01 -0.658473D+01  0.183575D+01  0.476956D+01  0.397680D+01
               131           132           133           134           135 
      1  -0.169857D+01 -0.362423D+01  0.306441D+01 -0.201737D+01 -0.838437D+01
      2   0.927811D+00  0.784109D+00 -0.330979D+01  0.182592D+01  0.238326D+01
      3  -0.502409D+01 -0.262617D+01  0.788333D+01 -0.409831D+01 -0.601604D+01
               136           137           138           139           140 
      1   0.120372D+00  0.568507D+00  0.439926D+00 -0.393732D+00  0.348863D+01
      2   0.116107D+00  0.196724D+00  0.485775D+00  0.101485D+01 -0.316858D+01
      3  -0.121405D+01  0.947676D+00 -0.357915D+00  0.482663D+01 -0.101735D+02
               141           142           143           144           145 
      1  -0.659492D+01  0.746153D+00 -0.369836D+01  0.685206D+01 -0.344242D+01
      2   0.226598D+01 -0.233778D+01  0.334369D+01 -0.328124D+01  0.631502D+01
      3   0.457154D+01 -0.271831D+01  0.594580D+01 -0.557413D+01  0.732195D+01
               146           147           148           149           150 
      1  -0.552658D+01 -0.131318D+01 -0.461260D+01 -0.949905D+01 -0.186621D+01
      2   0.439709D+01 -0.117248D+01  0.511103D+01  0.761337D+01 -0.172158D+01
      3   0.526779D+01 -0.120401D+01  0.832586D+01  0.109306D+02 -0.267939D+01
               151           152           153           154           155 
      1  -0.102232D+01  0.793993D+00 -0.129010D+01  0.411163D+01 -0.565227D+01
      2  -0.133884D+01 -0.690301D+00  0.731681D+00  0.953819D+01 -0.410173D+01
      3   0.113572D+01  0.319376D+00  0.137192D+01 -0.369366D+00  0.240766D+00
               156           157           158           159           160 
      1  -0.215045D+01 -0.466678D+01  0.762590D+01  0.222929D+01 -0.227782D+01
      2  -0.387658D+01 -0.639961D+01  0.588544D+01  0.537992D+01 -0.525679D+01
      3  -0.183266D+00  0.248687D+01 -0.884006D+00 -0.861794D+00  0.403302D+00
               161           162           163           164           165 
      1   0.450793D+01  0.377878D+01  0.112002D+01  0.196369D+01  0.224376D+01
      2   0.366185D+01  0.546485D+01 -0.331684D+01 -0.592077D+00  0.422001D+01
      3  -0.908668D-01 -0.982990D+00 -0.199606D+01 -0.285479D+01 -0.215844D+00
               166           167           168           169           170 
      1   0.193939D+00 -0.102969D+01  0.162728D+00  0.117370D+01  0.271651D+01
      2   0.791114D+00  0.148350D+01  0.163936D+00 -0.317476D+01 -0.516283D-01
      3   0.348187D+00  0.185966D+01 -0.131253D+01 -0.176030D+01 -0.179542D+01
               171           172           173           174           175 
      1   0.282923D+01 -0.257065D+01 -0.126348D+01  0.405928D+01 -0.872045D+00
      2   0.343578D+01 -0.302141D+01 -0.779134D+00  0.702146D+01 -0.121899D+01
      3  -0.752460D+00 -0.267610D+01 -0.116496D+01  0.326452D+01 -0.275613D-01
               176           177           178           179           180 
      1  -0.242602D+01  0.200063D+01  0.488030D+01  0.442484D+01 -0.110857D+02
      2  -0.251540D+01  0.456620D+01  0.553057D+01  0.647186D+00 -0.197172D+02
      3  -0.183450D+01  0.342063D+01  0.344202D+01  0.577098D+01 -0.500407D+01
               181           182           183           184           185 
      1   0.853848D+00  0.415740D+00 -0.169616D+01  0.304163D+00  0.242261D+01
      2  -0.107472D+01 -0.298178D+01 -0.621068D+00 -0.208375D+01 -0.447338D+01
      3   0.787428D+01  0.121836D+02  0.234605D+01  0.821021D+01  0.268860D+02
               186           187           188           189           190 
      1  -0.394940D+01  0.327863D+00  0.403404D-01 -0.134650D+01  0.537858D+01
      2  -0.293426D+01 -0.341543D+00 -0.305168D+01 -0.225029D+01  0.101191D+02
      3   0.461780D+01  0.156098D+01  0.355286D+01  0.297704D+01 -0.367201D+01
               191           192           193           194           195 
      1  -0.192298D+01  0.477950D+01 -0.229717D+01  0.164480D+01 -0.184247D+01
      2  -0.443653D+01  0.103073D+02 -0.363123D+01  0.276362D+01 -0.200175D+01
      3  -0.375873D+01 -0.667459D+00 -0.444355D+00  0.412924D+01 -0.410144D+00
               196           197           198           199           200 
      1   0.437169D+01 -0.485737D+00  0.353698D+01 -0.785256D+00  0.624358D+00
      2   0.829148D+01 -0.305260D+01  0.770264D+01  0.464119D+00 -0.670060D+00
      3  -0.556202D+00 -0.384928D+01 -0.114323D+01  0.158845D+01  0.132408D+00
               201           202           203           204           205 
      1  -0.638529D+00  0.121993D+01  0.539341D+01 -0.251458D+01 -0.583604D+01
      2   0.797057D-01 -0.235112D+01 -0.465029D+00  0.145786D+01 -0.169546D+01
      3  -0.112272D+00  0.450574D+01 -0.321222D+01  0.166751D+00  0.138088D+01
               206           207           208           209           210 
      1   0.123425D+01  0.409440D+00 -0.169282D+01  0.160741D+00  0.217699D+00
      2   0.106157D+01 -0.169357D-01 -0.374694D+01  0.239609D+00  0.661072D+00
      3  -0.138342D+00 -0.143112D+01  0.338824D+01  0.153575D+01  0.169529D+00
               211           212           213           214           215 
      1   0.160409D+01 -0.862855D+00 -0.386313D+01 -0.592189D+01  0.380067D+00
      2   0.232936D+01 -0.292376D+01 -0.235671D+01 -0.934838D+01 -0.152041D+01
      3   0.457858D+01  0.109878D+02  0.217004D+01  0.117592D+01  0.224893D+01
               216           217           218           219           220 
      1   0.441835D-01  0.244732D+00 -0.825400D+00  0.674912D+00 -0.249680D+01
      2   0.557330D+00  0.141073D+01 -0.228856D+01  0.264109D+01 -0.384634D+01
      3   0.113946D+01  0.386426D+00 -0.340568D+01  0.169692D+01 -0.789216D+01
               221           222           223           224           225 
      1   0.462627D+01 -0.459394D+01  0.251478D+01 -0.274136D+01  0.334023D+01
      2   0.978996D+01 -0.101199D+02  0.684641D+01 -0.112590D+02  0.802755D+01
      3   0.234109D+02 -0.729089D+01  0.444750D+01 -0.122669D+02  0.904828D+01
               226           227           228           229           230 
      1   0.338599D+00 -0.254403D+00 -0.101492D+01  0.486578D-02  0.560710D-01
      2  -0.443095D+00 -0.341579D+01 -0.486959D+01  0.267289D+00 -0.740917D+01
      3  -0.607126D+00  0.829849D+00  0.294094D+01 -0.244849D+01  0.941542D+01
               231           232           233           234           235 
      1  -0.244367D+01  0.158698D+01  0.122179D+00 -0.528269D+01 -0.177125D+01
      2  -0.102685D+02  0.407228D+01 -0.133432D+02 -0.303296D+02  0.371270D+00
      3   0.663067D+01  0.102446D+01  0.857109D+01  0.112141D+02 -0.148460D+02
               236           237           238           239           240 
      1  -0.127559D+01  0.246965D+00 -0.109749D+01 -0.803099D+00 -0.781621D+00
      2  -0.209506D+00  0.665644D+01 -0.952944D+00  0.271360D+00  0.329945D+01
      3  -0.107452D+02  0.183403D+01 -0.844814D+01 -0.794184D+01  0.513950D+00
               241           242           243 
      1   0.952350D+00  0.578714D+00 -0.332082D+00
      2   0.252147D+01  0.160880D+00 -0.193658D+01
      3   0.169934D+01  0.176704D+00 -0.483581D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.539866D+01  0.513277D+01 -0.851273D+01  0.201657D+01  0.195980D+02
      2   0.730802D+01 -0.185568D+02  0.123360D+02 -0.143061D+02 -0.127284D+02
      3  -0.127067D+02  0.134241D+02 -0.382330D+01  0.122895D+02 -0.686959D+01
      4   0.736579D+01  0.803426D+01  0.127726D+02  0.102393D+02 -0.896267D+00
      5  -0.222646D+02  0.120099D+02 -0.263744D+02  0.118276D+02  0.366920D+01
      6   0.688475D+01  0.694783D+01  0.120576D+02  0.739647D+01  0.677059D+01
                 6             7             8             9            10 
      1   0.101329D+02 -0.469097D+01  0.127466D+02 -0.193874D+02 -0.630580D+00
      2   0.258326D+00  0.921927D+01 -0.198729D+01  0.984416D+01 -0.294593D+01
      3  -0.103912D+02 -0.452829D+01 -0.107594D+02  0.954321D+01  0.357651D+01
      4  -0.673407D+01  0.151677D+02 -0.612184D+01  0.297843D+01 -0.171203D+02
      5   0.317340D+00 -0.256491D+02  0.522487D+01 -0.797207D+01  0.112843D+02
      6  -0.217060D+01  0.115775D+02 -0.195819D+01 -0.677570D+01 -0.877970D+01
                11            12            13            14            15 
      1  -0.669442D+01  0.180132D+01  0.241401D+01 -0.251996D+02 -0.102847D+02
      2   0.108583D+02 -0.195269D+01  0.362200D+00  0.112345D+02  0.224008D+01
      3  -0.416392D+01  0.151372D+00 -0.277621D+01  0.139651D+02  0.804458D+01
      4  -0.141854D+02 -0.132735D+02 -0.183804D+02 -0.212452D+02  0.624849D+01
      5  -0.118832D+02  0.150790D+02 -0.136710D+02  0.148231D+01  0.717321D+01
      6   0.793335D+01 -0.219938D+01  0.243378D+01 -0.107949D+02 -0.176130D+01
                16            17            18            19            20 
      1   0.389449D+01 -0.165671D+02  0.163491D+02  0.317558D+02  0.111267D+02
      2   0.410370D+01  0.628848D+01 -0.111550D+02 -0.129793D+02 -0.113533D+02
      3  -0.799819D+01  0.102787D+02 -0.519404D+01 -0.187765D+02  0.226687D+00
      4  -0.215971D+02  0.131604D+02  0.214519D+01  0.235613D+02 -0.548593D+01
      5   0.226387D+02  0.278790D+01 -0.975154D+01  0.112253D+02  0.291425D+01
      6  -0.281295D+01 -0.113018D+01  0.854767D+01  0.838889D+01  0.955428D+00
                21            22            23            24            25 
      1  -0.386801D+01  0.387684D+01  0.328985D+01  0.323734D+01 -0.206165D+02
      2  -0.248984D+01 -0.433048D+01 -0.729048D+01 -0.160436D+01 -0.693565D+01
      3   0.635784D+01  0.453642D+00  0.400063D+01 -0.163298D+01  0.275522D+02
      4   0.482897D+01 -0.600056D+01 -0.282160D+01 -0.474584D+01  0.123947D+02
      5  -0.689567D+01  0.564506D+01 -0.100457D+01  0.375858D+01 -0.179448D+02
      6   0.402600D+00  0.169394D+01  0.400026D+01  0.295368D+01 -0.242461D+01
                26            27            28            29            30 
      1   0.827009D+01  0.103798D+02 -0.111995D+03 -0.231821D+01  0.802291D+01
      2  -0.654534D+01  0.131722D+02  0.436552D+02 -0.976134D+00 -0.240003D+01
      3  -0.172476D+01 -0.235519D+02  0.683395D+02  0.329434D+01 -0.562288D+01
      4  -0.102103D+02  0.276819D+01 -0.151056D+02 -0.923649D+01  0.218492D+01
      5   0.319664D+01  0.158015D+02 -0.103420D+02  0.216464D+01 -0.102422D+02
      6   0.363972D+01 -0.108888D+01 -0.739413D+01 -0.344401D+01  0.201772D+01
                31            32            33            34            35 
      1   0.405376D+02  0.333057D+01  0.241712D+01  0.379921D+02  0.711253D+01
      2  -0.183484D+02 -0.244967D+01 -0.228519D+01 -0.892897D+01 -0.496331D+01
      3  -0.221892D+02 -0.880896D+00 -0.131930D+00 -0.290632D+02 -0.214921D+01
      4   0.584218D+00 -0.313574D+01 -0.171718D+01  0.280466D+01  0.544681D+01
      5  -0.231252D+01 -0.284805D+01  0.199387D+01 -0.238413D+01 -0.155749D+01
      6  -0.131755D+01 -0.902657D+01 -0.207272D+01 -0.610292D+00  0.385082D+01
                36            37            38            39            40 
      1  -0.276020D+02  0.135741D+03  0.836802D+01 -0.134407D+02 -0.378016D+02
      2  -0.107027D+01 -0.481418D+02 -0.164370D+01  0.332861D+01  0.178717D+02
      3   0.286723D+02 -0.875989D+02 -0.672432D+01  0.101120D+02  0.199300D+02
      4  -0.211866D+01  0.231587D+02  0.209042D+02 -0.392105D+01  0.225487D+02
      5   0.983766D+01  0.548404D+01 -0.135653D+01  0.175875D+02  0.160203D+00
      6  -0.309246D+01  0.783078D+01  0.296207D+01 -0.401327D+01  0.227706D+01
                41            42            43            44            45 
      1   0.929265D+01  0.838477D+01 -0.357582D+02  0.684583D+00  0.429960D+01
      2  -0.827128D+01 -0.326545D+01  0.158357D+02 -0.242388D+01 -0.668251D+01
      3  -0.102137D+01 -0.511932D+01  0.199226D+02  0.173930D+01  0.238291D+01
      4   0.661815D+01  0.297191D+01 -0.984351D+01  0.107264D+01 -0.256559D+01
      5   0.557004D+01 -0.682185D+01  0.240250D+02 -0.379895D+01 -0.543080D+01
      6  -0.299044D+01  0.481546D+01 -0.102164D+02  0.519123D+01 -0.503875D+00
                46            47            48            49            50 
      1  -0.587715D+02  0.734547D+01  0.443267D+01 -0.379797D+02 -0.206952D+02
      2   0.159128D+02 -0.653761D+01 -0.592896D+01  0.156622D+01 -0.354704D+01
      3   0.428587D+02 -0.807860D+00  0.149629D+01  0.364135D+02  0.242422D+02
      4  -0.832365D+01 -0.232842D+02 -0.379632D+01 -0.715681D+02 -0.468064D+02
      5   0.551823D+01 -0.739282D+01 -0.160683D+02 -0.228660D+02 -0.661564D+01
      6  -0.106466D+02  0.264271D+01  0.266598D+01 -0.780651D+01 -0.589966D+01
                51            52            53            54            55 
      1  -0.459692D+01  0.481387D+01 -0.829989D+01 -0.260682D+01  0.335359D+02
      2   0.556780D+01 -0.585972D+01 -0.424216D+00 -0.387134D+01 -0.130611D+02
      3  -0.970882D+00  0.104585D+01  0.872410D+01  0.647816D+01 -0.204749D+02
      4  -0.913622D+00 -0.205990D+02 -0.326987D+01 -0.438071D+01  0.255567D+02
      5  -0.428374D+01  0.190025D+01 -0.515341D+01  0.130739D+01  0.706910D+01
      6  -0.691322D+01  0.727029D+00  0.370609D+01 -0.467767D+01  0.258824D+01
                56            57            58            59            60 
      1   0.125889D+02  0.230346D+01  0.668803D+02  0.464791D+01 -0.353560D+01
      2  -0.289897D+01 -0.192662D+00 -0.150332D+02  0.297921D+02  0.332434D+00
      3  -0.968997D+01 -0.211080D+01 -0.518471D+02 -0.344400D+02  0.320316D+01
      4   0.258346D+02  0.452418D+01  0.756924D+02  0.813595D+02  0.540034D+01
      5   0.572032D+01  0.126525D+02  0.111071D+02  0.115416D+02  0.161266D+02
      6   0.141136D+01  0.219386D+01  0.910214D+01  0.676482D+01  0.149917D+02
                61            62            63            64            65 
      1   0.169255D+02  0.359926D+01 -0.245827D-01 -0.276040D+02  0.240962D+02
      2  -0.606220D+01 -0.886656D+00  0.971575D-01  0.113221D+02 -0.229490D+02
      3  -0.108633D+02 -0.271260D+01 -0.725748D-01  0.162819D+02 -0.114722D+01
      4   0.157603D+02  0.857450D+01  0.201533D+02  0.197544D+02  0.109536D+02
      5   0.209771D+02  0.199891D+02  0.986120D+01 -0.167662D+02  0.171111D+02
      6   0.960872D+01  0.135791D+02  0.642298D+01  0.112696D+02 -0.140763D+02
                66            67            68            69            70 
      1  -0.125697D+02  0.163498D+02  0.306577D+02  0.195757D+02 -0.203166D+02
      2  -0.400669D+01 -0.141386D+02 -0.266042D+02 -0.127871D+02 -0.258539D+01
      3   0.165764D+02 -0.221115D+01 -0.405353D+01 -0.678869D+01  0.229020D+02
      4   0.214399D+02  0.115070D+02  0.428162D+01 -0.787158D+01  0.269681D+02
      5  -0.183554D+02  0.184582D+02 -0.602516D+01 -0.118188D+02 -0.252047D+02
      6   0.578806D+01 -0.112125D+02 -0.145298D+01  0.323009D+01  0.760415D+01
                71            72            73            74            75 
      1   0.223048D+02 -0.242052D+02  0.184319D+01 -0.153186D+02  0.219180D+02
      2  -0.131098D+02  0.241532D+02 -0.255459D+01  0.114416D+02 -0.127847D+02
      3  -0.919496D+01  0.519729D-01  0.711404D+00  0.387706D+01 -0.913333D+01
      4  -0.119108D+02  0.314043D+00 -0.125462D+02  0.237276D+01  0.348836D+01
      5  -0.594492D+01  0.279880D+02  0.116872D+02 -0.237149D+01 -0.201246D+02
      6   0.363658D+01 -0.538099D+01  0.483975D+01 -0.678128D+01 -0.698071D+01
                76            77            78            79            80 
      1  -0.190990D+02  0.127552D+02 -0.566669D+01  0.235201D+02 -0.209234D+00
      2   0.186537D+02  0.226425D+01  0.456714D+01 -0.132686D+02  0.845150D+00
      3   0.445313D+00 -0.150195D+02  0.109955D+01 -0.102515D+02 -0.635916D+00
      4   0.103566D+02  0.377595D+02 -0.400357D+01 -0.179269D+01 -0.910786D+01
      5  -0.975796D+01  0.195793D+01 -0.125416D+02 -0.342007D+02 -0.170690D+02
      6  -0.308585D+01  0.113934D+01 -0.513855D+01 -0.140958D+02 -0.710296D+01
                81            82            83            84            85 
      1  -0.206463D+02 -0.193949D+02 -0.227023D+01 -0.146158D+02  0.781316D+00
      2   0.137234D+02  0.165361D+02  0.759700D+01  0.139870D+02  0.327041D+01
      3   0.692286D+01  0.285885D+01 -0.532677D+01  0.628790D+00 -0.405173D+01
      4  -0.218897D+02 -0.210203D+01  0.996741D+01 -0.456358D+01  0.102787D+02
      5  -0.114929D+02 -0.738442D+01  0.205911D+01  0.957554D+00  0.556985D+01
      6  -0.934265D+01 -0.107584D+02  0.599686D+01  0.318477D+01  0.325463D+01
                86            87            88            89            90 
      1   0.105860D+02 -0.643485D+01 -0.174741D+02 -0.129778D+02  0.138195D+02
      2  -0.481641D+01  0.105585D+02  0.159897D+02  0.197045D+02 -0.157420D+02
      3  -0.576956D+01 -0.412370D+01  0.148444D+01 -0.672674D+01  0.192248D+01
      4  -0.130018D+01  0.125377D+02 -0.395768D+01  0.178500D+02 -0.109881D+01
      5   0.657625D+01 -0.195245D+01  0.339582D+01 -0.389589D+01  0.399841D+00
      6   0.180587D+02 -0.132970D+02  0.442629D+01 -0.185655D+02  0.256431D+01
                91            92            93            94            95 
      1  -0.243794D+02 -0.383287D+02 -0.103061D+01 -0.570339D+02 -0.130911D+02
      2   0.145596D+02  0.206651D+02  0.243585D+01  0.305346D+02  0.389281D+01
      3   0.981972D+01  0.176636D+02 -0.140524D+01  0.264993D+02  0.919833D+01
      4  -0.450208D+02  0.292832D+01  0.145735D+02 -0.157649D+02  0.264579D+02
      5  -0.695010D+01  0.157707D+02  0.141115D+02  0.181491D+02 -0.103440D+02
      6   0.658362D+01 -0.373379D+01 -0.578371D+01 -0.417009D+01  0.592630D+01
                96            97            98            99           100 
      1   0.157368D+02 -0.113507D+02  0.164418D+02  0.151613D+02  0.495525D+02
      2  -0.779479D+00  0.996675D+00  0.223665D+01 -0.495326D+01 -0.244957D+02
      3  -0.149573D+02  0.103540D+02 -0.186785D+02 -0.102081D+02 -0.250569D+02
      4  -0.108793D+02  0.184572D+02 -0.171619D+02  0.268987D+02  0.255103D+02
      5   0.222173D+02  0.298041D+00  0.289941D+02  0.212524D+02 -0.218156D+02
      6  -0.583781D+01  0.216218D+01 -0.100773D+02 -0.860027D+01 -0.581277D+01
               101           102           103           104           105 
      1   0.105753D+02 -0.182771D+02  0.434152D+01  0.444221D+01  0.709703D-01
      2  -0.291371D+01  0.967290D+01 -0.910717D-01 -0.695762D+00 -0.152481D+01
      3  -0.766157D+01  0.860421D+01 -0.425045D+01 -0.374645D+01  0.145384D+01
      4   0.148774D+02 -0.850838D+01  0.115853D+02  0.526763D+01 -0.528233D+01
      5  -0.422718D+01  0.179833D+02 -0.200547D+01 -0.521709D+01  0.357972D+01
      6  -0.201202D+01  0.561957D+01 -0.241444D+01 -0.262133D+01  0.414184D+01
               106           107           108           109           110 
      1  -0.302260D+02 -0.384261D+01  0.155055D+02  0.189642D+02  0.792890D+01
      2   0.164422D+02 -0.655686D+00 -0.113056D+02 -0.105851D+02 -0.364303D+01
      3   0.137838D+02  0.449829D+01 -0.419992D+01 -0.837907D+01 -0.428587D+01
      4  -0.156276D+02 -0.116309D+02  0.126207D+02  0.167994D+02  0.107624D+02
      5   0.241217D+02  0.810830D+01 -0.192282D+02  0.151899D+02  0.694904D+01
      6   0.768184D+01  0.511334D+01 -0.640362D+01  0.710742D+01  0.446354D+01
               111           112           113           114           115 
      1   0.676069D+01  0.633914D+01 -0.136379D+01  0.416983D+00  0.149574D+02
      2  -0.471942D+01 -0.191028D+01  0.416838D+01  0.138916D+01 -0.111077D+02
      3  -0.204127D+01 -0.442887D+01 -0.280459D+01 -0.180614D+01 -0.384975D+01
      4   0.858906D+01  0.133919D+02  0.103604D+02  0.110076D+02  0.197744D+02
      5   0.171262D+02  0.760055D+01  0.953207D+01  0.952977D+01  0.305684D+02
      6   0.639691D+01  0.632801D+01  0.753517D+01  0.915872D+01  0.139805D+02
               116           117           118           119           120 
      1   0.151601D+01  0.671661D+01 -0.104101D+01 -0.253375D-01  0.154076D+01
      2   0.101901D+01 -0.127120D+02 -0.597238D+01  0.963608D+00  0.457498D+01
      3  -0.253502D+01  0.599543D+01  0.701339D+01 -0.938270D+00 -0.611574D+01
      4   0.194807D+02  0.200531D+02 -0.182870D+01  0.395795D+01 -0.407975D+00
      5   0.159096D+02  0.364183D+02 -0.949791D+01  0.654065D+00  0.125361D+02
      6   0.129270D+02  0.189168D+02 -0.402444D+00 -0.140728D+01  0.165717D-01
               121           122           123           124           125 
      1   0.564023D+01 -0.426871D+01 -0.239972D+01  0.884253D+01  0.235046D+00
      2  -0.142828D+01 -0.213651D+00 -0.109126D+01  0.614826D+01 -0.303577D+01
      3  -0.421195D+01  0.448236D+01  0.349098D+01 -0.149908D+02  0.280072D+01
      4   0.527803D+01  0.797913D+00 -0.304397D+01 -0.371221D+00 -0.366936D+01
      5   0.190480D+01 -0.308836D+01 -0.185533D+01  0.180724D+02 -0.182943D+01
      6  -0.158593D+01  0.148621D+01  0.675870D+01  0.191322D+01  0.471098D+01
               126           127           128           129           130 
      1  -0.229626D+02 -0.347858D+01  0.774783D+01  0.541140D+01  0.478191D+01
      2  -0.186354D+02  0.326702D+01 -0.100312D+02 -0.501435D+01 -0.566212D+01
      3   0.415979D+02  0.211564D+00  0.228333D+01 -0.397050D+00  0.880209D+00
      4  -0.107316D+01 -0.505105D+01  0.128576D+01  0.302320D+01  0.271904D+01
      5  -0.238958D+02  0.136029D+00 -0.381930D+00 -0.464471D+00 -0.296046D+00
      6  -0.780461D+00  0.618935D+01 -0.404464D+01 -0.605192D+01 -0.274862D+01
               131           132           133           134           135 
      1  -0.116970D+02 -0.443127D+01  0.905271D+01 -0.904284D+01 -0.128988D+02
      2   0.136849D+02  0.439816D+01 -0.630681D+01  0.102925D+02  0.850485D+01
      3  -0.198798D+01  0.331123D-01 -0.274590D+01 -0.124961D+01  0.439398D+01
      4  -0.990734D+00 -0.122269D+01  0.599379D+01 -0.238564D+00 -0.201112D+01
      5   0.424539D+00  0.108727D+01  0.109840D+00  0.182327D+01  0.331546D+01
      6   0.420260D+01  0.829846D+01 -0.522876D+01  0.109286D+02  0.125336D+02
               136           137           138           139           140 
      1  -0.115603D+01  0.376657D+01 -0.626544D+00  0.269948D+01 -0.316776D+02
      2   0.263004D+01 -0.249297D+01 -0.263178D+00 -0.533570D+00  0.420518D+02
      3  -0.147401D+01 -0.127360D+01  0.889722D+00 -0.216591D+01 -0.103742D+02
      4   0.431342D+01  0.726141D+01 -0.282824D+01  0.763383D+01  0.185342D+02
      5  -0.721095D+00 -0.270919D+01  0.344339D+01 -0.203574D+01 -0.831714D+01
      6  -0.310644D+01 -0.421496D+00 -0.611383D+00 -0.775713D+00 -0.263316D+02
               141           142           143           144           145 
      1   0.151956D+02 -0.490388D+00  0.221775D+02 -0.181047D+02 -0.707047D+01
      2  -0.166757D+02 -0.161765D+01 -0.238432D+02  0.130001D+02  0.621052D+01
      3   0.148010D+01  0.210804D+01  0.166567D+01  0.510466D+01  0.859954D+00
      4  -0.859810D+01 -0.441380D+01 -0.131647D+02  0.795630D+01  0.174285D+01
      5   0.543747D+01  0.292614D+01  0.871303D+01 -0.746755D+01 -0.318427D+01
      6   0.187789D+02  0.359623D-01  0.247617D+02 -0.210066D+02 -0.511946D+01
               146           147           148           149           150 
      1  -0.105875D+02  0.615357D+01 -0.829080D+01 -0.223135D+02  0.665103D+01
      2   0.118790D+02 -0.187542D+01  0.976031D+01  0.261043D+02 -0.187516D+01
      3  -0.129152D+01 -0.427815D+01 -0.146951D+01 -0.379072D+01 -0.477587D+01
      4  -0.689257D+00 -0.872897D+00  0.171356D+01 -0.812794D+01  0.248743D+01
      5  -0.423739D+01  0.241177D+01 -0.607552D+01 -0.266849D+01 -0.243142D+01
      6  -0.946371D+01  0.347362D+01 -0.636421D+01 -0.182059D+02  0.912701D+01
               151           152           153           154           155 
      1   0.159020D+01  0.300207D+00 -0.204706D+01 -0.647226D+01  0.291117D+01
      2   0.512231D-01  0.202496D+01  0.785262D+00 -0.202711D+01  0.306099D+01
      3  -0.164142D+01 -0.232517D+01  0.126180D+01  0.849937D+01 -0.597217D+01
      4  -0.106686D+01 -0.607486D+00 -0.516106D+00  0.289774D+01 -0.322577D+01
      5   0.274445D+01 -0.458846D+00  0.653440D-01 -0.242398D+01  0.858676D+00
      6   0.146893D+01  0.491559D+01 -0.152613D+01  0.263340D+01 -0.580025D+01
               156           157           158           159           160 
      1   0.978643D+01  0.478482D+01 -0.916083D+01 -0.998908D+01  0.576785D+01
      2   0.234093D+01  0.124186D+01  0.210031D+01 -0.419120D+01  0.152583D+01
      3  -0.121274D+02 -0.602668D+01  0.706051D+01  0.141803D+02 -0.729368D+01
      4  -0.313741D+01 -0.346464D+01  0.646346D+01  0.396418D+01 -0.318662D+01
      5   0.324432D+01  0.212457D+01 -0.740992D+00  0.354075D+01  0.553073D+01
      6  -0.276130D+01 -0.429784D+01  0.824640D+01  0.539604D+01 -0.327259D+01
               161           162           163           164           165 
      1  -0.597997D+01 -0.978486D+01  0.169938D+02 -0.148920D+01  0.362184D+01
      2  -0.230289D+01 -0.650331D+01 -0.184158D+02  0.300428D+01 -0.159875D+02
      3   0.828285D+01  0.162882D+02  0.142192D+01 -0.151509D+01  0.123657D+02
      4   0.288816D+01  0.336724D+01 -0.130225D+02  0.972274D+01 -0.999611D+01
      5  -0.519623D+00  0.171637D+01  0.335684D+02 -0.100712D+02  0.320298D+02
      6   0.601307D+01  0.428323D+01 -0.804226D+01  0.733826D+01 -0.970807D+01
               166           167           168           169           170 
      1  -0.743138D+00 -0.164784D+01  0.111614D+01  0.428776D+01  0.977470D+00
      2   0.155769D+01  0.402356D+00  0.446140D+00 -0.129734D+02  0.171498D+01
      3  -0.814556D+00  0.124548D+01 -0.156228D+01  0.868560D+01 -0.269245D+01
      4   0.683868D+01 -0.549606D+01  0.671654D+01 -0.804835D+01  0.619017D+01
      5  -0.548254D+01  0.677520D+01 -0.530657D+01  0.251959D+02 -0.807953D+01
      6   0.463344D+01 -0.556177D+01  0.749078D+01 -0.733780D+01  0.738970D+01
               171           172           173           174           175 
      1  -0.251255D+01  0.169474D+02 -0.162810D+01 -0.963218D+01  0.598973D+01
      2  -0.170813D+02 -0.123420D+02  0.606853D+00  0.106732D+02 -0.429293D+01
      3   0.195939D+02 -0.460535D+01  0.102125D+01 -0.104106D+01 -0.169679D+01
      4  -0.831046D+01 -0.510497D+01  0.324587D+01  0.583622D+00  0.102727D+01
      5   0.295764D+02 -0.143867D+02 -0.165467D+01  0.195870D+02 -0.713632D+01
      6  -0.103292D+02  0.252358D+01 -0.881794D-01 -0.531287D+01  0.337803D+00
               176           177           178           179           180 
      1  -0.179710D+01 -0.501151D+01 -0.147530D+02 -0.277941D+01  0.100905D+02
      2   0.183627D+00  0.743236D+01  0.150367D+02  0.525541D+01 -0.245677D+02
      3   0.161347D+01 -0.242085D+01 -0.283637D+00 -0.247600D+01  0.144772D+02
      4   0.385750D+01 -0.461459D+01  0.415282D+01 -0.892613D+01 -0.344193D+01
      5  -0.492016D+01  0.100469D+02  0.274352D+02  0.228677D+00 -0.463950D+02
      6  -0.494507D+00  0.162949D+01 -0.740906D+01  0.490638D+01  0.144283D+02
               181           182           183           184           185 
      1  -0.682323D+01 -0.186092D+02 -0.210188D+01 -0.140222D+02 -0.330586D+02
      2   0.704823D+01  0.204902D+02  0.230284D+01  0.970667D+01  0.453838D+02
      3  -0.224999D+00 -0.188099D+01 -0.200962D+00  0.431551D+01 -0.123252D+02
      4   0.204459D+00 -0.810473D+01 -0.352972D+01  0.541472D+01 -0.310086D+02
      5   0.271430D+01 -0.210606D+01 -0.970841D+00  0.930597D+00 -0.351688D+01
      6   0.784971D+00  0.592986D+01  0.422516D+01  0.211829D+01  0.124733D+02
               186           187           188           189           190 
      1  -0.675243D+01  0.260506D+00 -0.668082D+01 -0.311502D+01  0.647064D+02
      2   0.607568D+01  0.121343D+01  0.502682D+01  0.228668D+01 -0.269987D+02
      3   0.676752D+00 -0.147393D+01  0.165400D+01  0.828333D+00 -0.377077D+02
      4  -0.446883D+01 -0.207791D+01 -0.225155D+01 -0.368428D+01 -0.383644D+02
      5  -0.488277D+01  0.342969D+01 -0.374778D+01 -0.460050D+01  0.155227D+02
      6   0.881098D+01  0.562672D+00  0.798974D+01  0.418104D+01 -0.703453D+01
               191           192           193           194           195 
      1  -0.185127D+02  0.157826D+02 -0.109886D+02  0.482657D+01 -0.404634D+01
      2   0.392581D+01 -0.550422D+01  0.644999D+00  0.405608D+01  0.380073D+00
      3   0.145869D+02 -0.102784D+02  0.103436D+02 -0.888266D+01  0.366626D+01
      4   0.217920D+02 -0.100862D+02  0.178502D+02 -0.147651D+02  0.625029D+01
      5  -0.574276D+01  0.160932D+02 -0.445936D+01  0.451930D+01 -0.211492D+01
      6   0.359417D+01 -0.704933D+01  0.338848D+01 -0.154104D+01  0.325805D+01
               196           197           198           199           200 
      1   0.305729D+02 -0.930602D+01  0.134013D+02  0.107530D+01  0.189380D+00
      2  -0.116308D+02  0.885971D+00 -0.838730D+01 -0.144876D+01  0.220115D+00
      3  -0.189421D+02  0.842005D+01 -0.501402D+01  0.373464D+00 -0.409494D+00
      4  -0.219091D+02  0.160243D+02 -0.921908D+01  0.108569D+01  0.267869D+01
      5   0.189174D+02 -0.621615D+01  0.131874D+02  0.509229D+00  0.148047D+01
      6  -0.809746D+01  0.428671D+01 -0.655501D+01  0.259224D+01  0.552915D+00
               201           202           203           204           205 
      1   0.796138D+00  0.485886D+01 -0.172945D+02 -0.770143D+01  0.191249D+01
      2  -0.533065D+00 -0.303191D+01  0.160085D+02  0.326034D+01 -0.342260D+01
      3  -0.263073D+00 -0.182696D+01  0.128596D+01  0.444110D+01  0.151011D+01
      4   0.105381D+01  0.209051D+01  0.506088D+01  0.185391D+01  0.179642D+01
      5   0.164687D+01  0.120590D+01  0.265154D+01  0.231864D+01  0.192328D+01
      6   0.754679D+00 -0.609261D+00  0.114548D+02  0.743185D+01  0.206398D+01
               206           207           208           209           210 
      1  -0.530311D+01 -0.249497D+01  0.125026D+01 -0.414425D+01 -0.150420D+01
      2   0.247549D+01  0.131672D+01  0.108773D+01  0.248583D+01  0.703206D+00
      3   0.282763D+01  0.117825D+01 -0.233800D+01  0.165842D+01  0.800996D+00
      4   0.579952D+00  0.130920D+01 -0.363884D+01  0.357707D+01  0.137367D+01
      5   0.204523D+01  0.100427D+01 -0.212850D+01  0.102795D+01  0.648742D+00
      6   0.523606D+01  0.409905D+01  0.750532D+00 -0.100998D+01 -0.713247D-01
               211           212           213           214           215 
      1  -0.361023D+01 -0.144855D+02 -0.216568D+01 -0.281630D+01 -0.238943D+01
      2   0.671529D+00  0.208842D+02  0.260146D+01 -0.388683D+00  0.378785D+01
      3   0.293870D+01 -0.639871D+01 -0.435781D+00  0.320498D+01 -0.139841D+01
      4   0.590679D+01 -0.171908D+02 -0.330745D+01  0.368157D+01 -0.460962D+01
      5   0.168255D+01 -0.252464D+01 -0.233909D+01 -0.204887D+01 -0.151501D+01
      6  -0.117979D+01  0.127388D+01  0.401904D+01  0.203747D+01  0.236450D+01
               216           217           218           219           220 
      1  -0.287924D+01  0.156690D+02 -0.595572D+01  0.588133D+01 -0.202043D+02
      2   0.227013D+01 -0.536770D+01  0.109648D+01 -0.224467D+01  0.486781D+01
      3   0.609106D+00 -0.103013D+02  0.485924D+01 -0.363666D+01  0.153365D+02
      4  -0.214122D+01 -0.724185D+01  0.100082D+02 -0.640165D+01  0.297784D+02
      5  -0.103126D+01  0.668398D+01 -0.571998D+01  0.414568D+01 -0.555586D+01
      6   0.154219D+01 -0.296166D+01  0.908778D+00 -0.478643D+00  0.299789D+01
               221           222           223           224           225 
      1   0.851715D+01 -0.649483D+00  0.190042D+02 -0.644417D+01  0.107018D+01
      2   0.106482D+02 -0.475195D+01 -0.697548D+01 -0.348105D+01 -0.555193D-01
      3  -0.191654D+02  0.540144D+01 -0.120287D+02  0.992522D+01 -0.101466D+01
      4  -0.512897D+02  0.151053D+02 -0.175412D+02  0.264425D+02 -0.187507D+02
      5   0.163181D+02 -0.198036D+02  0.122002D+02 -0.200749D+02  0.165717D+02
      6  -0.711952D+01  0.745610D+01 -0.440352D+01  0.922265D+01 -0.656660D+01
               226           227           228           229           230 
      1   0.854245D+00 -0.540659D+00 -0.851001D+01 -0.716169D+01 -0.100804D+01
      2  -0.144151D+01 -0.325812D-01  0.211075D+01  0.336144D+01  0.168782D+01
      3   0.587261D+00  0.573241D+00  0.639925D+01  0.380025D+01 -0.679777D+00
      4   0.328364D+01 -0.173551D+01 -0.233653D+01  0.115958D+02 -0.192325D+02
      5  -0.205209D+01 -0.300818D+01 -0.306991D+01  0.290093D+01 -0.115488D+02
      6   0.174047D+01  0.234672D+01  0.226010D+01 -0.146224D+01  0.729989D+01
               231           232           233           234           235 
      1  -0.583198D+01 -0.188304D+02 -0.578669D+01 -0.125548D+02  0.990169D+02
      2   0.136328D+01  0.125722D+02 -0.192388D+00 -0.892575D+01 -0.530038D+02
      3   0.446870D+01  0.625826D+01  0.597908D+01  0.214806D+02 -0.460131D+02
      4  -0.116786D+02  0.711146D+01 -0.155050D+02 -0.203243D+02  0.159112D+02
      5  -0.179992D+02  0.156653D+02 -0.219158D+02 -0.512288D+02 -0.122502D+02
      6   0.103206D+02 -0.375268D+01  0.122110D+02  0.169083D+02 -0.264922D+01
               236           237           238           239           240 
      1   0.202119D+02 -0.695688D+01  0.468600D+02  0.166219D+02 -0.492354D+01
      2  -0.120493D+02  0.514769D+01 -0.253979D+02 -0.754489D+01  0.293234D+01
      3  -0.816265D+01  0.180919D+01 -0.214621D+02 -0.907703D+01  0.199121D+01
      4   0.160724D+02 -0.254745D+01  0.195134D+02  0.141629D+02 -0.103695D+01
      5  -0.362876D+01  0.141770D+02 -0.761255D+01 -0.163805D+01  0.702399D+01
      6  -0.170092D+01 -0.352718D-01 -0.250631D+01 -0.236318D+01  0.201914D+01
               241           242           243 
      1  -0.235470D+01 -0.224269D+01  0.843658D+01
      2   0.264547D+01  0.807838D+00 -0.610250D+01
      3  -0.290769D+00  0.143485D+01 -0.233408D+01
      4  -0.203049D+01  0.675674D+00  0.961491D+00
      5   0.137226D+02  0.143073D+01 -0.538368D+01
      6   0.486284D+00  0.254350D+01  0.431434D+00
 Leave Link  716 at Fri Aug 13 00:10:21 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168366D+03 -0.332526D+01 -0.557493D+01
      2  -0.332526D+01  0.120290D+03  0.222879D+01
      3  -0.557493D+01  0.222879D+01  0.102895D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.536190D+00  0.503596D+01 -0.761778D+01
      2   0.362460D+02 -0.109115D+02  0.308898D+02
      3   0.234441D+02 -0.130609D+02  0.123352D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.659143D+02 -0.131657D+02  0.215489D+02
      2   0.154442D+02  0.186662D+02 -0.328330D+02
      3   0.504702D+02 -0.550052D+01  0.112841D+02
      4   0.656001D+01  0.246063D+02 -0.229000D+02
      5   0.303707D+02 -0.245180D+02  0.784347D+02
      6  -0.293187D+01 -0.330378D+01  0.134913D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.330446D+01  0.120309D+01 -0.400478D+01  0.306666D+00  0.367142D+01
      2   0.120309D+01  0.370074D+01  0.225870D+01  0.367142D+01  0.221362D+01
      3  -0.400478D+01  0.225870D+01 -0.354793D+01  0.221328D+01 -0.160314D+01
                 6             7             8             9            10 
      1   0.221328D+01 -0.338226D+01  0.271735D+01 -0.324964D+01  0.223642D+02
      2  -0.160314D+01  0.271735D+01 -0.881506D+00 -0.103626D+01 -0.240151D+01
      3  -0.174291D+01 -0.324964D+01 -0.103626D+01  0.999420D+00  0.363057D+01
                11            12            13            14            15 
      1  -0.240151D+01  0.363057D+01 -0.106851D+02 -0.248283D+01 -0.286635D+01
      2  -0.275327D+01 -0.224561D+01 -0.248283D+01 -0.459252D+01  0.112294D+01
      3  -0.224561D+01  0.358997D+01 -0.286635D+01  0.112294D+01  0.115548D+01
                16            17            18            19            20 
      1   0.140038D+02 -0.322770D+01  0.558270D+01 -0.370569D+02  0.231943D+01
      2  -0.322770D+01  0.213644D+01  0.712124D+00  0.231943D+01 -0.237387D+01
      3   0.558270D+01  0.712124D+00 -0.270126D+01 -0.177984D+00  0.101808D+01
                21            22            23            24            25 
      1  -0.177984D+00  0.911066D+01 -0.217414D+01  0.223983D+01 -0.533887D+01
      2   0.101808D+01 -0.217414D+01 -0.212440D+01 -0.167455D+01  0.219613D+01
      3  -0.300090D+01  0.223983D+01 -0.167455D+01  0.200068D+01 -0.667512D+01
                26            27            28            29            30 
      1   0.219613D+01 -0.667512D+01  0.551151D+02 -0.664088D+00 -0.326370D+01
      2  -0.250029D+01  0.140471D+01 -0.664088D+00  0.185051D+01 -0.719674D+00
      3   0.140471D+01  0.498402D+01 -0.326370D+01 -0.719674D+00  0.250370D+01
                31            32            33            34            35 
      1  -0.134282D+02  0.201239D+01  0.951015D-01 -0.134979D+02 -0.147583D+01
      2   0.201239D+01  0.248268D+01  0.140813D+01 -0.147583D+01  0.891499D+00
      3   0.951015D-01  0.140813D+01 -0.130242D+01  0.653661D+01 -0.216714D+00
                36            37            38            39            40 
      1   0.653661D+01 -0.505672D+02 -0.254912D+01  0.328456D+01  0.131352D+02
      2  -0.216714D+00 -0.254912D+01 -0.110198D+01  0.903943D+00 -0.382543D+01
      3  -0.430071D+01  0.328456D+01  0.903943D+00 -0.174097D+01 -0.696722D+00
                41            42            43            44            45 
      1  -0.382543D+01 -0.696722D+00  0.148855D+02  0.129380D+01 -0.511250D+01
      2  -0.195787D+01 -0.132775D+01  0.129380D+01 -0.131753D+01  0.779254D+00
      3  -0.132775D+01  0.218422D+01 -0.511250D+01  0.779254D+00  0.233649D+01
                46            47            48            49            50 
      1   0.181095D+02  0.300872D+01 -0.154922D+01  0.220559D+02  0.888360D+01
      2   0.300872D+01 -0.795598D-01  0.394778D+00  0.888360D+01  0.597027D+01
      3  -0.154922D+01  0.394778D+00 -0.799570D+00  0.357707D+00  0.285452D+00
                51            52            53            54            55 
      1   0.357707D+00  0.208701D+01  0.221454D+01 -0.787885D+00 -0.642224D+01
      2   0.285452D+00  0.221454D+01  0.101935D+01  0.694597D+00 -0.324009D+01
      3  -0.543741D+00 -0.787885D+00  0.694597D+00  0.689536D+00 -0.410132D+00
                56            57            58            59            60 
      1  -0.324009D+01 -0.410132D+00 -0.240962D+02 -0.100955D+02  0.366836D+00
      2  -0.160763D+01 -0.574226D+00 -0.100955D+02 -0.111687D+02 -0.654142D+00
      3  -0.574226D+00 -0.383601D+00  0.366836D+00 -0.654142D+00 -0.136913D+01
                61            62            63            64            65 
      1  -0.572565D+01 -0.219230D+01 -0.170326D+01 -0.597194D+01  0.187523D+01
      2  -0.219230D+01 -0.107969D+01 -0.283243D+01  0.187523D+01  0.334913D+01
      3  -0.170326D+01 -0.283243D+01 -0.130622D+01 -0.248344D+01  0.276426D+01
                66            67            68            69            70 
      1  -0.248344D+01  0.138018D+01  0.255644D+01  0.296167D+01 -0.451424D+01
      2   0.276426D+01  0.255644D+01  0.342821D+01 -0.214601D+00  0.295905D+01
      3  -0.284170D+01  0.296167D+01 -0.214601D+00 -0.186555D+01 -0.392933D+01
                71            72            73            74            75 
      1   0.295905D+01 -0.392933D+01 -0.223643D+01 -0.247254D+01  0.172394D+01
      2  -0.781573D+00 -0.892522D+00 -0.247254D+01  0.217673D+01 -0.752340D+00
      3  -0.892522D+00  0.423961D+01  0.172394D+01 -0.752340D+00 -0.277205D+01
                76            77            78            79            80 
      1  -0.338781D+01  0.252544D+01 -0.169130D+01 -0.316942D+00 -0.130234D+01
      2   0.252544D+01  0.612014D+01 -0.364967D+00 -0.130234D+01 -0.889866D+00
      3  -0.169130D+01 -0.364967D+00 -0.158983D+01 -0.489244D+01 -0.237429D+01
                81            82            83            84            85 
      1  -0.489244D+01 -0.370270D+01  0.203154D+01 -0.242736D+01  0.289443D+01
      2  -0.237429D+01  0.203154D+01  0.177980D+01  0.165014D+01  0.247181D+01
      3  -0.153832D+01 -0.242736D+01  0.165014D+01  0.844685D+00  0.128703D+01
                86            87            88            89            90 
      1   0.247181D+01  0.128703D+01 -0.249428D+01  0.179363D+01  0.133485D+01
      2  -0.886281D+00  0.307150D+01  0.179363D+01  0.421526D+01 -0.245093D+01
      3   0.307150D+01 -0.193502D+01  0.133485D+01 -0.245093D+01 -0.493676D+00
                91            92            93            94            95 
      1   0.214239D+01  0.481131D+01  0.879951D+00  0.786948D+01  0.252357D+01
      2   0.481131D+01  0.507978D+00 -0.168771D+01  0.252357D+01 -0.383575D+01
      3   0.879951D+00 -0.168771D+01 -0.130121D+01 -0.178358D+01  0.907219D+00
                96            97            98            99           100 
      1  -0.178358D+01  0.177076D+01 -0.176272D+01 -0.102525D+00  0.643495D+01
      2   0.907219D+00 -0.176272D+01  0.141331D+01 -0.372769D+01  0.184879D+01
      3  -0.310167D+01 -0.102525D+00 -0.372769D+01 -0.323172D+01 -0.263331D+01
               101           102           103           104           105 
      1   0.184879D+01 -0.263331D+01  0.648996D+00  0.940434D+00 -0.249959D+00
      2   0.144376D+01 -0.574077D+00  0.940434D+00  0.374638D+00 -0.555801D+00
      3  -0.574077D+00  0.216965D+01 -0.249959D+00 -0.555801D+00  0.467099D+00
               106           107           108           109           110 
      1  -0.480239D+01 -0.955029D+00  0.295828D+01  0.265861D+01  0.152872D+01
      2  -0.955029D+00 -0.147980D+01  0.115665D+01  0.152872D+01  0.804234D+00
      3   0.295828D+01  0.115665D+01 -0.258497D+01  0.169728D+01  0.826468D+00
               111           112           113           114           115 
      1   0.169728D+01  0.791510D+00  0.126028D+01  0.982674D+00  0.429887D+01
      2   0.826468D+00  0.126028D+01  0.139999D+01  0.137665D+01  0.200670D+01
      3   0.189073D+01  0.982674D+00  0.137665D+01  0.137875D+01  0.399009D+01
               116           117           118           119           120 
      1   0.200670D+01  0.399009D+01  0.571279D+01 -0.714579D+00 -0.180116D+01
      2   0.253262D+01  0.229412D+01 -0.714579D+00  0.502084D+00 -0.106027D-01
      3   0.229412D+01  0.537630D+01 -0.180116D+01 -0.106027D-01  0.191310D+01
               121           122           123           124           125 
      1  -0.448496D+01  0.828813D+00  0.287096D-01 -0.353273D+01 -0.235497D+00
      2   0.828813D+00 -0.715389D-01 -0.942615D+00 -0.235497D+00 -0.120921D+01
      3   0.287096D-01 -0.942615D+00 -0.102607D+01  0.352658D+01 -0.790628D+00
               126           127           128           129           130 
      1   0.352658D+01 -0.146182D+01  0.449650D+00  0.113564D+01  0.528578D+00
      2  -0.790628D+00  0.449650D+00 -0.164985D+01 -0.823801D+00 -0.947185D+00
      3  -0.837944D+01  0.113564D+01 -0.823801D+00 -0.133915D+01 -0.544761D+00
               131           132           133           134           135 
      1  -0.947185D+00 -0.544761D+00  0.196746D+01 -0.772638D+00 -0.102362D+01
      2   0.200741D+01  0.763497D+00 -0.772638D+00  0.187565D+01  0.165051D+01
      3   0.763497D+00  0.106935D+01 -0.102362D+01  0.165051D+01  0.283905D+01
               136           137           138           139           140 
      1   0.725085D+00  0.995263D+00 -0.372095D+00  0.305926D+00  0.132464D+00
      2   0.995263D+00 -0.170483D-01 -0.117608D+00  0.132464D+00  0.717643D+01
      3  -0.372095D+00 -0.117608D+00 -0.763087D-01 -0.121189D+00 -0.334517D+01
               141           142           143           144           145 
      1  -0.121189D+00 -0.933773D+00 -0.293268D+00 -0.238391D+00 -0.197225D+01
      2  -0.334517D+01 -0.293268D+00 -0.487880D+01  0.340814D+01 -0.162375D+01
      3   0.234125D+01 -0.238391D+00  0.340814D+01 -0.315273D+01  0.533382D+00
               146           147           148           149           150 
      1  -0.162375D+01  0.533382D+00 -0.154855D+01 -0.209033D+01  0.169266D+00
      2  -0.272273D+01  0.487424D+00 -0.209033D+01 -0.572135D+01  0.141074D+01
      3   0.487424D+00 -0.725910D+00  0.169266D+00  0.141074D+01 -0.149873D+01
               151           152           153           154           155 
      1  -0.335511D+00 -0.641353D-01 -0.230531D+00 -0.216280D+01  0.951524D+00
      2  -0.641353D-01  0.247663D-01 -0.541507D+00  0.951524D+00 -0.156886D+01
      3  -0.230531D+00 -0.541507D+00  0.237879D+00  0.130388D+01 -0.713686D+00
               156           157           158           159           160 
      1   0.130388D+01  0.148548D+01 -0.141761D+01 -0.887198D+00  0.103323D+01
      2  -0.713686D+00 -0.141761D+01  0.217502D+01  0.115249D+01 -0.736907D+00
      3  -0.165241D+01 -0.887198D+00  0.115249D+01  0.249227D+01 -0.919558D+00
               161           162           163           164           165 
      1  -0.736907D+00 -0.919558D+00  0.537447D+01 -0.142972D+01  0.376152D+01
      2   0.107159D+01  0.115004D+01 -0.142972D+01  0.116457D+01 -0.141309D+01
      3   0.115004D+01  0.243318D+01  0.376152D+01 -0.141309D+01  0.440354D+01
               166           167           168           169           170 
      1  -0.481231D+00  0.668407D+00 -0.738299D+00  0.240824D+01 -0.103472D+01
      2   0.668407D+00 -0.110042D+01  0.118674D+01 -0.103472D+01  0.102180D+01
      3  -0.738299D+00  0.118674D+01 -0.695745D+00  0.311918D+01 -0.117825D+01
               171           172           173           174           175 
      1   0.311918D+01  0.241929D+01 -0.170601D+00 -0.161193D+01  0.105952D+01
      2  -0.117825D+01 -0.170601D+00  0.104939D+00 -0.236475D+00 -0.320286D-01
      3   0.450973D+01 -0.161193D+01 -0.236475D+00  0.216890D+01 -0.887865D+00
               176           177           178           179           180 
      1  -0.320286D-01 -0.887865D+00 -0.250602D+01  0.111340D+00  0.326866D+01
      2   0.423909D+00 -0.772563D+00  0.111340D+00 -0.139698D+01  0.119218D-01
      3  -0.772563D+00  0.154973D+01  0.326866D+01  0.119218D-01 -0.677468D+01
               181           182           183           184           185 
      1  -0.103033D+01 -0.108296D+01  0.728245D-01 -0.156243D+01 -0.628879D+00
      2  -0.108296D+01 -0.345330D+01 -0.816957D+00 -0.628879D+00 -0.787122D+01
      3   0.728245D-01 -0.816957D+00 -0.605864D+00 -0.219007D+00 -0.125368D+01
               186           187           188           189           190 
      1  -0.219007D+00  0.334063D+00 -0.417169D+00  0.188615D+00  0.808870D+01
      2  -0.125368D+01 -0.417169D+00 -0.737790D+00 -0.102979D+01 -0.314815D+01
      3  -0.114096D+01  0.188615D+00 -0.102979D+01 -0.868333D+00  0.208409D+01
               191           192           193           194           195 
      1  -0.314815D+01  0.208409D+01 -0.141975D+01  0.161000D+01 -0.746755D+00
      2   0.183244D+01 -0.848025D+00  0.161000D+01 -0.182129D+01  0.555272D+00
      3  -0.848025D+00  0.193030D+01 -0.746755D+00  0.555272D+00 -0.292415D+00
               196           197           198           199           200 
      1   0.498849D+01 -0.205729D+01  0.233390D+01  0.274400D+00 -0.897829D+00
      2  -0.205729D+01  0.181856D+01 -0.784943D+00 -0.897829D+00 -0.400199D+00
      3   0.233390D+01 -0.784943D+00  0.163448D+01 -0.577103D+00 -0.120963D+00
               201           202           203           204           205 
      1  -0.577103D+00 -0.197076D+01 -0.526909D-01  0.269962D+00 -0.195365D+01
      2  -0.120963D+00 -0.526909D-01 -0.565472D+01 -0.166260D+01  0.372391D+00
      3  -0.369896D-01  0.269962D+00 -0.166260D+01 -0.150895D+01 -0.782571D+00
               206           207           208           209           210 
      1   0.372391D+00 -0.782571D+00 -0.885247D+00  0.125938D+01  0.579640D+00
      2  -0.126374D+01 -0.112340D+01  0.125938D+01  0.189034D+00 -0.128878D+00
      3  -0.112340D+01 -0.734967D+00  0.579640D+00 -0.128878D+00 -0.163920D+00
               211           212           213           214           215 
      1   0.213379D+01 -0.314716D+00 -0.316094D+00  0.806460D+00 -0.476680D+00
      2  -0.314716D+00  0.578085D+01  0.112912D+01 -0.476680D+00  0.135927D+01
      3  -0.316094D+00  0.112912D+01  0.879258D+00  0.361984D+00  0.574912D+00
               216           217           218           219           220 
      1   0.361984D+00 -0.249602D+01  0.505214D+00 -0.728389D+00  0.317551D+01
      2   0.574912D+00  0.505214D+00 -0.659557D+00  0.568378D+00 -0.297471D+01
      3   0.183656D+00 -0.728389D+00  0.568378D+00 -0.258383D+00  0.411139D+00
               221           222           223           224           225 
      1  -0.297471D+01  0.411139D+00 -0.247624D+01  0.165094D+01 -0.106333D+01
      2   0.606793D+01 -0.175294D+01  0.165094D+01 -0.307066D+01  0.229042D+01
      3  -0.175294D+01  0.236587D+01 -0.106333D+01  0.229042D+01 -0.186538D+01
               226           227           228           229           230 
      1  -0.557130D+00 -0.386482D+00  0.557369D+00  0.120022D+01 -0.118329D+01
      2  -0.386482D+00  0.536838D+00  0.618294D+00 -0.118329D+01  0.257980D+01
      3   0.557369D+00  0.618294D+00  0.984492D+00 -0.305386D+00  0.165894D+01
               231           232           233           234           235 
      1  -0.305386D+00  0.300169D+01 -0.601984D+00 -0.135103D+01 -0.959216D+01
      2   0.165894D+01 -0.601984D+00  0.216609D+01  0.288019D+01 -0.200644D+01
      3   0.236470D+01 -0.135103D+01  0.288019D+01  0.689399D+01  0.795951D+00
               236           237           238           239           240 
      1  -0.200644D+01  0.795951D+00 -0.501710D+01 -0.186576D+01  0.671248D+00
      2  -0.155493D+01  0.293265D+00 -0.186576D+01 -0.139481D+01  0.958269D-01
      3   0.293265D+00 -0.115221D+01  0.671248D+00  0.958269D-01 -0.635531D+00
               241           242           243 
      1   0.224824D+00  0.290334D+00 -0.113972D+01
      2   0.290334D+00 -0.587781D-01 -0.282300D-01
      3  -0.113972D+01 -0.282300D-01  0.575058D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.253025D+01  0.108309D+02  0.171272D+01  0.108520D+02  0.388306D+01
      2  -0.739656D+01  0.649048D+00  0.464536D+01  0.242295D+01 -0.110819D+02
      3  -0.102051D+01 -0.100062D+02  0.839849D+00 -0.539339D+01 -0.811224D+01
                 6             7             8             9            10 
      1  -0.791381D+01  0.217062D+01 -0.159394D+01 -0.326298D+01  0.606588D+01
      2  -0.770912D+01 -0.162316D+01 -0.640116D+01  0.740659D+01  0.261911D+02
      3  -0.238230D+00 -0.152093D+01 -0.794256D+00  0.455072D+01  0.422137D+01
                11            12            13            14            15 
      1  -0.505762D+01  0.200579D+01 -0.354710D+01 -0.187523D+00 -0.342456D+01
      2  -0.722431D+01  0.125338D+02 -0.162857D+02  0.521909D+01  0.295610D+01
      3   0.555262D+01  0.243820D+01  0.116201D+02  0.151992D+02 -0.136089D+01
                16            17            18            19            20 
      1   0.988538D+00  0.575739D+01 -0.117481D+01 -0.761968D+01  0.321625D+01
      2   0.150383D+02  0.243041D+01 -0.378064D+01 -0.272860D+02  0.391599D+01
      3   0.462887D+01 -0.501258D+00 -0.400150D+01 -0.592241D+01 -0.406462D+01
                21            22            23            24            25 
      1  -0.240748D+01  0.189885D+01  0.594089D+01 -0.974245D+00 -0.181546D+01
      2   0.452716D+00  0.123965D+02 -0.397995D+01  0.437030D+01 -0.195455D+02
      3   0.532262D+00  0.909725D+01 -0.112990D+01  0.105636D+01  0.889043D+00
                26            27            28            29            30 
      1   0.419548D+01 -0.311051D+01  0.721913D+01 -0.774869D+00  0.122462D+01
      2   0.326540D+01 -0.328878D+01  0.315204D+02  0.812034D-01 -0.771016D+01
      3   0.130051D+01 -0.139554D+01  0.125044D+02  0.366009D+01 -0.265609D+01
                31            32            33            34            35 
      1   0.157859D+01 -0.328419D+01 -0.487078D+00 -0.213624D+01  0.264372D+01
      2  -0.709712D+01  0.127107D+01  0.650181D+00 -0.395975D+02 -0.575241D+00
      3   0.113124D+02  0.114446D+01 -0.332017D+00 -0.773518D+01 -0.206862D+01
                36            37            38            39            40 
      1   0.278597D+01 -0.228496D+01  0.499788D-01  0.145875D+00  0.292412D+01
      2   0.837723D+01 -0.307431D+02 -0.226856D+01  0.109766D+02  0.720994D+01
      3   0.180392D+01 -0.225884D+02 -0.122056D+02  0.263580D+01  0.102015D+02
                41            42            43            44            45 
      1  -0.778416D+00 -0.271158D+00  0.882915D+01  0.489664D+01 -0.119604D+01
      2  -0.230661D+00 -0.139399D+01  0.171186D+02 -0.162823D+01 -0.863094D+01
      3  -0.426005D+01 -0.331377D+01  0.750995D+01 -0.629165D+00 -0.400878D+00
                46            47            48            49            50 
      1  -0.103989D+01  0.275697D+01 -0.178350D+01  0.324667D+01 -0.183661D+01
      2   0.533843D+01  0.422922D+01 -0.119167D+02  0.111634D+02  0.148859D+01
      3   0.449434D+01  0.537122D+01 -0.124272D+01  0.403177D+02  0.260126D+02
                51            52            53            54            55 
      1   0.413705D+01  0.382981D+01  0.768465D+01  0.353976D+01  0.208974D+01
      2  -0.678907D+01 -0.245152D+02 -0.724865D+00  0.426723D+01 -0.667930D+00
      3  -0.145135D+01  0.725461D+00  0.323403D+01  0.207424D+01 -0.294509D+01
                56            57            58            59            60 
      1  -0.468692D+00 -0.167315D+00 -0.708239D+00  0.373493D+00 -0.923519D+01
      2   0.762077D-01  0.752990D+01 -0.108299D+02 -0.985863D+00  0.115762D+02
      3  -0.941609D+01 -0.176979D+01 -0.229281D+02 -0.421394D+02 -0.196453D+01
                61            62            63            64            65 
      1   0.238199D+00  0.967132D+00 -0.225514D+01 -0.522135D+01  0.374010D+01
      2   0.599988D+01  0.686597D+01  0.275661D+01 -0.107257D+02  0.107328D+02
      3  -0.454596D+01 -0.511438D+01 -0.794368D+01  0.211243D+01 -0.178552D+02
                66            67            68            69            70 
      1  -0.740731D+01  0.365933D+01 -0.313196D+01 -0.432370D+01 -0.103969D+02
      2  -0.921230D+01  0.950422D+01  0.576603D+00 -0.372493D+01 -0.174605D+02
      3  -0.582012D+01 -0.667910D+01 -0.192405D+02 -0.446289D+01 -0.464828D+01
                71            72            73            74            75 
      1   0.149551D+01  0.855862D+01 -0.421466D+01  0.327391D+01  0.375191D+01
      2  -0.131274D+00  0.117067D+02  0.254125D+01 -0.148711D+01 -0.865642D+01
      3  -0.420909D+01  0.933142D+01  0.907842D+01 -0.159226D+02  0.765435D+01
                76            77            78            79            80 
      1   0.221349D+01  0.340838D+01  0.672922D+00  0.792159D+01  0.637904D+01
      2  -0.478466D+01 -0.189721D+01 -0.581836D+01 -0.220011D+02 -0.890380D+01
      3  -0.858969D+01 -0.164071D+02 -0.259985D-01  0.814983D+01 -0.100607D+01
                81            82            83            84            85 
      1   0.196575D+01  0.534861D+01 -0.608871D+01 -0.255639D+01 -0.848325D+01
      2  -0.591235D+01 -0.466682D+01  0.261763D+01  0.236808D+01  0.525581D+01
      3   0.213629D+01 -0.123953D+02 -0.422277D+00 -0.890748D+01  0.737240D+01
                86            87            88            89            90 
      1  -0.103041D+02  0.834289D+00 -0.218920D+01  0.820787D+01  0.133486D+01
      2   0.414001D+01 -0.928422D+00 -0.178895D+01 -0.143810D+00 -0.277404D+00
      3   0.533769D+01  0.849328D+00 -0.117371D+02  0.274748D+00  0.638905D+01
                91            92            93            94            95 
      1   0.796163D+00  0.147501D+01  0.233693D+01  0.436953D+01 -0.352109D+01
      2  -0.508941D+01  0.568520D+01  0.115228D+02  0.741776D+01 -0.556490D+01
      3   0.202743D+02  0.191598D+01 -0.617367D+01  0.185315D+02 -0.141795D+02
                96            97            98            99           100 
      1   0.126391D+01 -0.604375D+01  0.866415D+01  0.184131D+01  0.369299D+01
      2   0.125485D+02 -0.902502D+01  0.208681D+02  0.153780D+02 -0.804278D+01
      3   0.223831D+01 -0.612399D+01  0.559694D+01 -0.166456D+02  0.368991D+01
               101           102           103           104           105 
      1  -0.257667D+00 -0.357502D+01  0.490640D+00  0.594365D+00 -0.164821D+01
      2  -0.155160D+01  0.926093D+01 -0.117110D+01 -0.155225D+01  0.178447D+01
      3  -0.401045D+01 -0.192710D+01  0.185791D+00  0.565907D+00  0.133315D+01
               106           107           108           109           110 
      1  -0.382126D+01  0.219723D+00  0.398869D+01 -0.189897D+01 -0.138824D+00
      2   0.688102D+01  0.310792D+01 -0.885665D+01  0.285487D+01  0.225069D+01
      3  -0.371287D+01  0.491617D+01  0.482195D+00  0.135622D+00 -0.204838D+01
               111           112           113           114           115 
      1  -0.292298D+01 -0.163844D+01 -0.116642D+01 -0.280679D+01 -0.475772D+01
      2   0.708682D+01  0.162240D+01  0.435770D+01  0.470592D+01  0.919003D+01
      3  -0.363017D+00 -0.738028D-01 -0.275848D+01 -0.257070D+01 -0.198528D+00
               116           117           118           119           120 
      1   0.699573D+00 -0.796492D+01  0.831314D+00 -0.142291D+01 -0.362691D+00
      2   0.673724D+01  0.172878D+02  0.425967D+01 -0.113056D+01  0.137122D+01
      3  -0.697102D+01 -0.188659D+01  0.142882D+01 -0.174473D+01 -0.634768D+00
               121           122           123           124           125 
      1  -0.269380D+01 -0.423710D-01  0.407402D+00  0.960755D+00  0.407917D+01
      2  -0.478370D+01  0.459963D+00 -0.742569D+00 -0.332370D+01 -0.837185D+00
      3   0.122121D+01 -0.244088D+00  0.545426D+00 -0.798933D+00  0.162485D+01
               126           127           128           129           130 
      1   0.299350D+01 -0.313945D+01  0.185381D+01  0.415605D+01  0.173519D+01
      2  -0.441729D+01  0.239303D+01 -0.820033D+00 -0.335162D+00 -0.107044D+01
      3   0.114279D+01 -0.658473D+01  0.183575D+01  0.476956D+01  0.397680D+01
               131           132           133           134           135 
      1  -0.169857D+01 -0.362423D+01  0.306441D+01 -0.201737D+01 -0.838437D+01
      2   0.927811D+00  0.784109D+00 -0.330979D+01  0.182592D+01  0.238326D+01
      3  -0.502409D+01 -0.262617D+01  0.788333D+01 -0.409831D+01 -0.601604D+01
               136           137           138           139           140 
      1   0.120372D+00  0.568507D+00  0.439926D+00 -0.393732D+00  0.348863D+01
      2   0.116107D+00  0.196724D+00  0.485775D+00  0.101485D+01 -0.316858D+01
      3  -0.121405D+01  0.947676D+00 -0.357915D+00  0.482663D+01 -0.101735D+02
               141           142           143           144           145 
      1  -0.659492D+01  0.746153D+00 -0.369836D+01  0.685206D+01 -0.344242D+01
      2   0.226598D+01 -0.233778D+01  0.334369D+01 -0.328124D+01  0.631502D+01
      3   0.457154D+01 -0.271831D+01  0.594580D+01 -0.557413D+01  0.732195D+01
               146           147           148           149           150 
      1  -0.552658D+01 -0.131318D+01 -0.461260D+01 -0.949905D+01 -0.186621D+01
      2   0.439709D+01 -0.117248D+01  0.511103D+01  0.761337D+01 -0.172158D+01
      3   0.526779D+01 -0.120401D+01  0.832586D+01  0.109306D+02 -0.267939D+01
               151           152           153           154           155 
      1  -0.102232D+01  0.793993D+00 -0.129010D+01  0.411163D+01 -0.565227D+01
      2  -0.133884D+01 -0.690301D+00  0.731681D+00  0.953819D+01 -0.410173D+01
      3   0.113572D+01  0.319376D+00  0.137192D+01 -0.369366D+00  0.240766D+00
               156           157           158           159           160 
      1  -0.215045D+01 -0.466678D+01  0.762590D+01  0.222929D+01 -0.227782D+01
      2  -0.387658D+01 -0.639961D+01  0.588544D+01  0.537992D+01 -0.525679D+01
      3  -0.183266D+00  0.248687D+01 -0.884006D+00 -0.861794D+00  0.403302D+00
               161           162           163           164           165 
      1   0.450793D+01  0.377878D+01  0.112002D+01  0.196369D+01  0.224376D+01
      2   0.366185D+01  0.546485D+01 -0.331684D+01 -0.592077D+00  0.422001D+01
      3  -0.908668D-01 -0.982990D+00 -0.199606D+01 -0.285479D+01 -0.215844D+00
               166           167           168           169           170 
      1   0.193939D+00 -0.102969D+01  0.162728D+00  0.117370D+01  0.271651D+01
      2   0.791114D+00  0.148350D+01  0.163936D+00 -0.317476D+01 -0.516283D-01
      3   0.348187D+00  0.185966D+01 -0.131253D+01 -0.176030D+01 -0.179542D+01
               171           172           173           174           175 
      1   0.282923D+01 -0.257065D+01 -0.126348D+01  0.405928D+01 -0.872045D+00
      2   0.343578D+01 -0.302141D+01 -0.779134D+00  0.702146D+01 -0.121899D+01
      3  -0.752460D+00 -0.267610D+01 -0.116496D+01  0.326452D+01 -0.275613D-01
               176           177           178           179           180 
      1  -0.242602D+01  0.200063D+01  0.488030D+01  0.442484D+01 -0.110857D+02
      2  -0.251540D+01  0.456620D+01  0.553057D+01  0.647186D+00 -0.197172D+02
      3  -0.183450D+01  0.342063D+01  0.344202D+01  0.577098D+01 -0.500407D+01
               181           182           183           184           185 
      1   0.853848D+00  0.415740D+00 -0.169616D+01  0.304163D+00  0.242261D+01
      2  -0.107472D+01 -0.298178D+01 -0.621068D+00 -0.208375D+01 -0.447338D+01
      3   0.787428D+01  0.121836D+02  0.234605D+01  0.821021D+01  0.268860D+02
               186           187           188           189           190 
      1  -0.394940D+01  0.327863D+00  0.403404D-01 -0.134650D+01  0.537858D+01
      2  -0.293426D+01 -0.341543D+00 -0.305168D+01 -0.225029D+01  0.101191D+02
      3   0.461780D+01  0.156098D+01  0.355286D+01  0.297704D+01 -0.367201D+01
               191           192           193           194           195 
      1  -0.192298D+01  0.477950D+01 -0.229717D+01  0.164480D+01 -0.184247D+01
      2  -0.443653D+01  0.103073D+02 -0.363123D+01  0.276362D+01 -0.200175D+01
      3  -0.375873D+01 -0.667459D+00 -0.444355D+00  0.412924D+01 -0.410144D+00
               196           197           198           199           200 
      1   0.437169D+01 -0.485737D+00  0.353698D+01 -0.785256D+00  0.624358D+00
      2   0.829148D+01 -0.305260D+01  0.770264D+01  0.464119D+00 -0.670060D+00
      3  -0.556202D+00 -0.384928D+01 -0.114323D+01  0.158845D+01  0.132408D+00
               201           202           203           204           205 
      1  -0.638529D+00  0.121993D+01  0.539341D+01 -0.251458D+01 -0.583604D+01
      2   0.797057D-01 -0.235112D+01 -0.465029D+00  0.145786D+01 -0.169546D+01
      3  -0.112272D+00  0.450574D+01 -0.321222D+01  0.166751D+00  0.138088D+01
               206           207           208           209           210 
      1   0.123425D+01  0.409440D+00 -0.169282D+01  0.160741D+00  0.217699D+00
      2   0.106157D+01 -0.169357D-01 -0.374694D+01  0.239609D+00  0.661072D+00
      3  -0.138342D+00 -0.143112D+01  0.338824D+01  0.153575D+01  0.169529D+00
               211           212           213           214           215 
      1   0.160409D+01 -0.862855D+00 -0.386313D+01 -0.592189D+01  0.380067D+00
      2   0.232936D+01 -0.292376D+01 -0.235671D+01 -0.934838D+01 -0.152041D+01
      3   0.457858D+01  0.109878D+02  0.217004D+01  0.117592D+01  0.224893D+01
               216           217           218           219           220 
      1   0.441835D-01  0.244732D+00 -0.825400D+00  0.674912D+00 -0.249680D+01
      2   0.557330D+00  0.141073D+01 -0.228856D+01  0.264109D+01 -0.384634D+01
      3   0.113946D+01  0.386426D+00 -0.340568D+01  0.169692D+01 -0.789216D+01
               221           222           223           224           225 
      1   0.462627D+01 -0.459394D+01  0.251478D+01 -0.274136D+01  0.334023D+01
      2   0.978996D+01 -0.101199D+02  0.684641D+01 -0.112590D+02  0.802755D+01
      3   0.234109D+02 -0.729089D+01  0.444750D+01 -0.122669D+02  0.904828D+01
               226           227           228           229           230 
      1   0.338599D+00 -0.254403D+00 -0.101492D+01  0.486578D-02  0.560710D-01
      2  -0.443095D+00 -0.341579D+01 -0.486959D+01  0.267289D+00 -0.740917D+01
      3  -0.607126D+00  0.829849D+00  0.294094D+01 -0.244849D+01  0.941542D+01
               231           232           233           234           235 
      1  -0.244367D+01  0.158698D+01  0.122179D+00 -0.528269D+01 -0.177125D+01
      2  -0.102685D+02  0.407228D+01 -0.133432D+02 -0.303296D+02  0.371270D+00
      3   0.663067D+01  0.102446D+01  0.857109D+01  0.112141D+02 -0.148460D+02
               236           237           238           239           240 
      1  -0.127559D+01  0.246965D+00 -0.109749D+01 -0.803099D+00 -0.781621D+00
      2  -0.209506D+00  0.665644D+01 -0.952944D+00  0.271360D+00  0.329945D+01
      3  -0.107452D+02  0.183403D+01 -0.844814D+01 -0.794184D+01  0.513950D+00
               241           242           243 
      1   0.952350D+00  0.578714D+00 -0.332082D+00
      2   0.252147D+01  0.160880D+00 -0.193658D+01
      3   0.169934D+01  0.176704D+00 -0.483581D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.539866D+01  0.513277D+01 -0.851273D+01  0.201657D+01  0.195980D+02
      2   0.730802D+01 -0.185568D+02  0.123360D+02 -0.143061D+02 -0.127284D+02
      3  -0.127067D+02  0.134241D+02 -0.382330D+01  0.122895D+02 -0.686959D+01
      4   0.736579D+01  0.803426D+01  0.127726D+02  0.102393D+02 -0.896267D+00
      5  -0.222646D+02  0.120099D+02 -0.263744D+02  0.118276D+02  0.366920D+01
      6   0.688475D+01  0.694783D+01  0.120576D+02  0.739647D+01  0.677059D+01
                 6             7             8             9            10 
      1   0.101329D+02 -0.469097D+01  0.127466D+02 -0.193874D+02 -0.630580D+00
      2   0.258326D+00  0.921927D+01 -0.198729D+01  0.984416D+01 -0.294593D+01
      3  -0.103912D+02 -0.452829D+01 -0.107594D+02  0.954321D+01  0.357651D+01
      4  -0.673407D+01  0.151677D+02 -0.612184D+01  0.297843D+01 -0.171203D+02
      5   0.317340D+00 -0.256491D+02  0.522487D+01 -0.797207D+01  0.112843D+02
      6  -0.217060D+01  0.115775D+02 -0.195819D+01 -0.677570D+01 -0.877970D+01
                11            12            13            14            15 
      1  -0.669442D+01  0.180132D+01  0.241401D+01 -0.251996D+02 -0.102847D+02
      2   0.108583D+02 -0.195269D+01  0.362200D+00  0.112345D+02  0.224008D+01
      3  -0.416392D+01  0.151372D+00 -0.277621D+01  0.139651D+02  0.804458D+01
      4  -0.141854D+02 -0.132735D+02 -0.183804D+02 -0.212452D+02  0.624849D+01
      5  -0.118832D+02  0.150790D+02 -0.136710D+02  0.148231D+01  0.717321D+01
      6   0.793335D+01 -0.219938D+01  0.243378D+01 -0.107949D+02 -0.176130D+01
                16            17            18            19            20 
      1   0.389449D+01 -0.165671D+02  0.163491D+02  0.317558D+02  0.111267D+02
      2   0.410370D+01  0.628848D+01 -0.111550D+02 -0.129793D+02 -0.113533D+02
      3  -0.799819D+01  0.102787D+02 -0.519404D+01 -0.187765D+02  0.226687D+00
      4  -0.215971D+02  0.131604D+02  0.214519D+01  0.235613D+02 -0.548593D+01
      5   0.226387D+02  0.278790D+01 -0.975154D+01  0.112253D+02  0.291425D+01
      6  -0.281295D+01 -0.113018D+01  0.854767D+01  0.838889D+01  0.955428D+00
                21            22            23            24            25 
      1  -0.386801D+01  0.387684D+01  0.328985D+01  0.323734D+01 -0.206165D+02
      2  -0.248984D+01 -0.433048D+01 -0.729048D+01 -0.160436D+01 -0.693565D+01
      3   0.635784D+01  0.453642D+00  0.400063D+01 -0.163298D+01  0.275522D+02
      4   0.482897D+01 -0.600056D+01 -0.282160D+01 -0.474584D+01  0.123947D+02
      5  -0.689567D+01  0.564506D+01 -0.100457D+01  0.375858D+01 -0.179448D+02
      6   0.402600D+00  0.169394D+01  0.400026D+01  0.295368D+01 -0.242461D+01
                26            27            28            29            30 
      1   0.827009D+01  0.103798D+02 -0.111995D+03 -0.231821D+01  0.802291D+01
      2  -0.654534D+01  0.131722D+02  0.436552D+02 -0.976134D+00 -0.240003D+01
      3  -0.172476D+01 -0.235519D+02  0.683395D+02  0.329434D+01 -0.562288D+01
      4  -0.102103D+02  0.276819D+01 -0.151056D+02 -0.923649D+01  0.218492D+01
      5   0.319664D+01  0.158015D+02 -0.103420D+02  0.216464D+01 -0.102422D+02
      6   0.363972D+01 -0.108888D+01 -0.739413D+01 -0.344401D+01  0.201772D+01
                31            32            33            34            35 
      1   0.405376D+02  0.333057D+01  0.241712D+01  0.379921D+02  0.711253D+01
      2  -0.183484D+02 -0.244967D+01 -0.228519D+01 -0.892897D+01 -0.496331D+01
      3  -0.221892D+02 -0.880896D+00 -0.131930D+00 -0.290632D+02 -0.214921D+01
      4   0.584218D+00 -0.313574D+01 -0.171718D+01  0.280466D+01  0.544681D+01
      5  -0.231252D+01 -0.284805D+01  0.199387D+01 -0.238413D+01 -0.155749D+01
      6  -0.131755D+01 -0.902657D+01 -0.207272D+01 -0.610292D+00  0.385082D+01
                36            37            38            39            40 
      1  -0.276020D+02  0.135741D+03  0.836802D+01 -0.134407D+02 -0.378016D+02
      2  -0.107027D+01 -0.481418D+02 -0.164370D+01  0.332861D+01  0.178717D+02
      3   0.286723D+02 -0.875989D+02 -0.672432D+01  0.101120D+02  0.199300D+02
      4  -0.211866D+01  0.231587D+02  0.209042D+02 -0.392105D+01  0.225487D+02
      5   0.983766D+01  0.548404D+01 -0.135653D+01  0.175875D+02  0.160203D+00
      6  -0.309246D+01  0.783078D+01  0.296207D+01 -0.401327D+01  0.227706D+01
                41            42            43            44            45 
      1   0.929265D+01  0.838477D+01 -0.357582D+02  0.684583D+00  0.429960D+01
      2  -0.827128D+01 -0.326545D+01  0.158357D+02 -0.242388D+01 -0.668251D+01
      3  -0.102137D+01 -0.511932D+01  0.199226D+02  0.173930D+01  0.238291D+01
      4   0.661815D+01  0.297191D+01 -0.984351D+01  0.107264D+01 -0.256559D+01
      5   0.557004D+01 -0.682185D+01  0.240250D+02 -0.379895D+01 -0.543080D+01
      6  -0.299044D+01  0.481546D+01 -0.102164D+02  0.519123D+01 -0.503875D+00
                46            47            48            49            50 
      1  -0.587715D+02  0.734547D+01  0.443267D+01 -0.379797D+02 -0.206952D+02
      2   0.159128D+02 -0.653761D+01 -0.592896D+01  0.156622D+01 -0.354704D+01
      3   0.428587D+02 -0.807860D+00  0.149629D+01  0.364135D+02  0.242422D+02
      4  -0.832365D+01 -0.232842D+02 -0.379632D+01 -0.715681D+02 -0.468064D+02
      5   0.551823D+01 -0.739282D+01 -0.160683D+02 -0.228660D+02 -0.661564D+01
      6  -0.106466D+02  0.264271D+01  0.266598D+01 -0.780651D+01 -0.589966D+01
                51            52            53            54            55 
      1  -0.459692D+01  0.481387D+01 -0.829989D+01 -0.260682D+01  0.335359D+02
      2   0.556780D+01 -0.585972D+01 -0.424216D+00 -0.387134D+01 -0.130611D+02
      3  -0.970882D+00  0.104585D+01  0.872410D+01  0.647816D+01 -0.204749D+02
      4  -0.913622D+00 -0.205990D+02 -0.326987D+01 -0.438071D+01  0.255567D+02
      5  -0.428374D+01  0.190025D+01 -0.515341D+01  0.130739D+01  0.706910D+01
      6  -0.691322D+01  0.727029D+00  0.370609D+01 -0.467767D+01  0.258824D+01
                56            57            58            59            60 
      1   0.125889D+02  0.230346D+01  0.668803D+02  0.464791D+01 -0.353560D+01
      2  -0.289897D+01 -0.192662D+00 -0.150332D+02  0.297921D+02  0.332434D+00
      3  -0.968997D+01 -0.211080D+01 -0.518471D+02 -0.344400D+02  0.320316D+01
      4   0.258346D+02  0.452418D+01  0.756924D+02  0.813595D+02  0.540034D+01
      5   0.572032D+01  0.126525D+02  0.111071D+02  0.115416D+02  0.161266D+02
      6   0.141136D+01  0.219386D+01  0.910214D+01  0.676482D+01  0.149917D+02
                61            62            63            64            65 
      1   0.169255D+02  0.359926D+01 -0.245827D-01 -0.276040D+02  0.240962D+02
      2  -0.606220D+01 -0.886656D+00  0.971575D-01  0.113221D+02 -0.229490D+02
      3  -0.108633D+02 -0.271260D+01 -0.725748D-01  0.162819D+02 -0.114722D+01
      4   0.157603D+02  0.857450D+01  0.201533D+02  0.197544D+02  0.109536D+02
      5   0.209771D+02  0.199891D+02  0.986120D+01 -0.167662D+02  0.171111D+02
      6   0.960872D+01  0.135791D+02  0.642298D+01  0.112696D+02 -0.140763D+02
                66            67            68            69            70 
      1  -0.125697D+02  0.163498D+02  0.306577D+02  0.195757D+02 -0.203166D+02
      2  -0.400669D+01 -0.141386D+02 -0.266042D+02 -0.127871D+02 -0.258539D+01
      3   0.165764D+02 -0.221115D+01 -0.405353D+01 -0.678869D+01  0.229020D+02
      4   0.214399D+02  0.115070D+02  0.428162D+01 -0.787158D+01  0.269681D+02
      5  -0.183554D+02  0.184582D+02 -0.602516D+01 -0.118188D+02 -0.252047D+02
      6   0.578806D+01 -0.112125D+02 -0.145298D+01  0.323009D+01  0.760415D+01
                71            72            73            74            75 
      1   0.223048D+02 -0.242052D+02  0.184319D+01 -0.153186D+02  0.219180D+02
      2  -0.131098D+02  0.241532D+02 -0.255459D+01  0.114416D+02 -0.127847D+02
      3  -0.919496D+01  0.519729D-01  0.711404D+00  0.387706D+01 -0.913333D+01
      4  -0.119108D+02  0.314043D+00 -0.125462D+02  0.237276D+01  0.348836D+01
      5  -0.594492D+01  0.279880D+02  0.116872D+02 -0.237149D+01 -0.201246D+02
      6   0.363658D+01 -0.538099D+01  0.483975D+01 -0.678128D+01 -0.698071D+01
                76            77            78            79            80 
      1  -0.190990D+02  0.127552D+02 -0.566669D+01  0.235201D+02 -0.209234D+00
      2   0.186537D+02  0.226425D+01  0.456714D+01 -0.132686D+02  0.845150D+00
      3   0.445313D+00 -0.150195D+02  0.109955D+01 -0.102515D+02 -0.635916D+00
      4   0.103566D+02  0.377595D+02 -0.400357D+01 -0.179269D+01 -0.910786D+01
      5  -0.975796D+01  0.195793D+01 -0.125416D+02 -0.342007D+02 -0.170690D+02
      6  -0.308585D+01  0.113934D+01 -0.513855D+01 -0.140958D+02 -0.710296D+01
                81            82            83            84            85 
      1  -0.206463D+02 -0.193949D+02 -0.227023D+01 -0.146158D+02  0.781316D+00
      2   0.137234D+02  0.165361D+02  0.759700D+01  0.139870D+02  0.327041D+01
      3   0.692286D+01  0.285885D+01 -0.532677D+01  0.628790D+00 -0.405173D+01
      4  -0.218897D+02 -0.210203D+01  0.996741D+01 -0.456358D+01  0.102787D+02
      5  -0.114929D+02 -0.738442D+01  0.205911D+01  0.957554D+00  0.556985D+01
      6  -0.934265D+01 -0.107584D+02  0.599686D+01  0.318477D+01  0.325463D+01
                86            87            88            89            90 
      1   0.105860D+02 -0.643485D+01 -0.174741D+02 -0.129778D+02  0.138195D+02
      2  -0.481641D+01  0.105585D+02  0.159897D+02  0.197045D+02 -0.157420D+02
      3  -0.576956D+01 -0.412370D+01  0.148444D+01 -0.672674D+01  0.192248D+01
      4  -0.130018D+01  0.125377D+02 -0.395768D+01  0.178500D+02 -0.109881D+01
      5   0.657625D+01 -0.195245D+01  0.339582D+01 -0.389589D+01  0.399841D+00
      6   0.180587D+02 -0.132970D+02  0.442629D+01 -0.185655D+02  0.256431D+01
                91            92            93            94            95 
      1  -0.243794D+02 -0.383287D+02 -0.103061D+01 -0.570339D+02 -0.130911D+02
      2   0.145596D+02  0.206651D+02  0.243585D+01  0.305346D+02  0.389281D+01
      3   0.981972D+01  0.176636D+02 -0.140524D+01  0.264993D+02  0.919833D+01
      4  -0.450208D+02  0.292832D+01  0.145735D+02 -0.157649D+02  0.264579D+02
      5  -0.695010D+01  0.157707D+02  0.141115D+02  0.181491D+02 -0.103440D+02
      6   0.658362D+01 -0.373379D+01 -0.578371D+01 -0.417009D+01  0.592630D+01
                96            97            98            99           100 
      1   0.157368D+02 -0.113507D+02  0.164418D+02  0.151613D+02  0.495525D+02
      2  -0.779479D+00  0.996675D+00  0.223665D+01 -0.495326D+01 -0.244957D+02
      3  -0.149573D+02  0.103540D+02 -0.186785D+02 -0.102081D+02 -0.250569D+02
      4  -0.108793D+02  0.184572D+02 -0.171619D+02  0.268987D+02  0.255103D+02
      5   0.222173D+02  0.298041D+00  0.289941D+02  0.212524D+02 -0.218156D+02
      6  -0.583781D+01  0.216218D+01 -0.100773D+02 -0.860027D+01 -0.581277D+01
               101           102           103           104           105 
      1   0.105753D+02 -0.182771D+02  0.434152D+01  0.444221D+01  0.709703D-01
      2  -0.291371D+01  0.967290D+01 -0.910717D-01 -0.695762D+00 -0.152481D+01
      3  -0.766157D+01  0.860421D+01 -0.425045D+01 -0.374645D+01  0.145384D+01
      4   0.148774D+02 -0.850838D+01  0.115853D+02  0.526763D+01 -0.528233D+01
      5  -0.422718D+01  0.179833D+02 -0.200547D+01 -0.521709D+01  0.357972D+01
      6  -0.201202D+01  0.561957D+01 -0.241444D+01 -0.262133D+01  0.414184D+01
               106           107           108           109           110 
      1  -0.302260D+02 -0.384261D+01  0.155055D+02  0.189642D+02  0.792890D+01
      2   0.164422D+02 -0.655686D+00 -0.113056D+02 -0.105851D+02 -0.364303D+01
      3   0.137838D+02  0.449829D+01 -0.419992D+01 -0.837907D+01 -0.428587D+01
      4  -0.156276D+02 -0.116309D+02  0.126207D+02  0.167994D+02  0.107624D+02
      5   0.241217D+02  0.810830D+01 -0.192282D+02  0.151899D+02  0.694904D+01
      6   0.768184D+01  0.511334D+01 -0.640362D+01  0.710742D+01  0.446354D+01
               111           112           113           114           115 
      1   0.676069D+01  0.633914D+01 -0.136379D+01  0.416983D+00  0.149574D+02
      2  -0.471942D+01 -0.191028D+01  0.416838D+01  0.138916D+01 -0.111077D+02
      3  -0.204127D+01 -0.442887D+01 -0.280459D+01 -0.180614D+01 -0.384975D+01
      4   0.858906D+01  0.133919D+02  0.103604D+02  0.110076D+02  0.197744D+02
      5   0.171262D+02  0.760055D+01  0.953207D+01  0.952977D+01  0.305684D+02
      6   0.639691D+01  0.632801D+01  0.753517D+01  0.915872D+01  0.139805D+02
               116           117           118           119           120 
      1   0.151601D+01  0.671661D+01 -0.104101D+01 -0.253375D-01  0.154076D+01
      2   0.101901D+01 -0.127120D+02 -0.597238D+01  0.963608D+00  0.457498D+01
      3  -0.253502D+01  0.599543D+01  0.701339D+01 -0.938270D+00 -0.611574D+01
      4   0.194807D+02  0.200531D+02 -0.182870D+01  0.395795D+01 -0.407975D+00
      5   0.159096D+02  0.364183D+02 -0.949791D+01  0.654065D+00  0.125361D+02
      6   0.129270D+02  0.189168D+02 -0.402444D+00 -0.140728D+01  0.165717D-01
               121           122           123           124           125 
      1   0.564023D+01 -0.426871D+01 -0.239972D+01  0.884253D+01  0.235046D+00
      2  -0.142828D+01 -0.213651D+00 -0.109126D+01  0.614826D+01 -0.303577D+01
      3  -0.421195D+01  0.448236D+01  0.349098D+01 -0.149908D+02  0.280072D+01
      4   0.527803D+01  0.797913D+00 -0.304397D+01 -0.371221D+00 -0.366936D+01
      5   0.190480D+01 -0.308836D+01 -0.185533D+01  0.180724D+02 -0.182943D+01
      6  -0.158593D+01  0.148621D+01  0.675870D+01  0.191322D+01  0.471098D+01
               126           127           128           129           130 
      1  -0.229626D+02 -0.347858D+01  0.774783D+01  0.541140D+01  0.478191D+01
      2  -0.186354D+02  0.326702D+01 -0.100312D+02 -0.501435D+01 -0.566212D+01
      3   0.415979D+02  0.211564D+00  0.228333D+01 -0.397050D+00  0.880209D+00
      4  -0.107316D+01 -0.505105D+01  0.128576D+01  0.302320D+01  0.271904D+01
      5  -0.238958D+02  0.136029D+00 -0.381930D+00 -0.464471D+00 -0.296046D+00
      6  -0.780461D+00  0.618935D+01 -0.404464D+01 -0.605192D+01 -0.274862D+01
               131           132           133           134           135 
      1  -0.116970D+02 -0.443127D+01  0.905271D+01 -0.904284D+01 -0.128988D+02
      2   0.136849D+02  0.439816D+01 -0.630681D+01  0.102925D+02  0.850485D+01
      3  -0.198798D+01  0.331123D-01 -0.274590D+01 -0.124961D+01  0.439398D+01
      4  -0.990734D+00 -0.122269D+01  0.599379D+01 -0.238564D+00 -0.201112D+01
      5   0.424539D+00  0.108727D+01  0.109840D+00  0.182327D+01  0.331546D+01
      6   0.420260D+01  0.829846D+01 -0.522876D+01  0.109286D+02  0.125336D+02
               136           137           138           139           140 
      1  -0.115603D+01  0.376657D+01 -0.626544D+00  0.269948D+01 -0.316776D+02
      2   0.263004D+01 -0.249297D+01 -0.263178D+00 -0.533570D+00  0.420518D+02
      3  -0.147401D+01 -0.127360D+01  0.889722D+00 -0.216591D+01 -0.103742D+02
      4   0.431342D+01  0.726141D+01 -0.282824D+01  0.763383D+01  0.185342D+02
      5  -0.721095D+00 -0.270919D+01  0.344339D+01 -0.203574D+01 -0.831714D+01
      6  -0.310644D+01 -0.421496D+00 -0.611383D+00 -0.775713D+00 -0.263316D+02
               141           142           143           144           145 
      1   0.151956D+02 -0.490388D+00  0.221775D+02 -0.181047D+02 -0.707047D+01
      2  -0.166757D+02 -0.161765D+01 -0.238432D+02  0.130001D+02  0.621052D+01
      3   0.148010D+01  0.210804D+01  0.166567D+01  0.510466D+01  0.859954D+00
      4  -0.859810D+01 -0.441380D+01 -0.131647D+02  0.795630D+01  0.174285D+01
      5   0.543747D+01  0.292614D+01  0.871303D+01 -0.746755D+01 -0.318427D+01
      6   0.187789D+02  0.359623D-01  0.247617D+02 -0.210066D+02 -0.511946D+01
               146           147           148           149           150 
      1  -0.105875D+02  0.615357D+01 -0.829080D+01 -0.223135D+02  0.665103D+01
      2   0.118790D+02 -0.187542D+01  0.976031D+01  0.261043D+02 -0.187516D+01
      3  -0.129152D+01 -0.427815D+01 -0.146951D+01 -0.379072D+01 -0.477587D+01
      4  -0.689257D+00 -0.872897D+00  0.171356D+01 -0.812794D+01  0.248743D+01
      5  -0.423739D+01  0.241177D+01 -0.607552D+01 -0.266849D+01 -0.243142D+01
      6  -0.946371D+01  0.347362D+01 -0.636421D+01 -0.182059D+02  0.912701D+01
               151           152           153           154           155 
      1   0.159020D+01  0.300207D+00 -0.204706D+01 -0.647226D+01  0.291117D+01
      2   0.512231D-01  0.202496D+01  0.785262D+00 -0.202711D+01  0.306099D+01
      3  -0.164142D+01 -0.232517D+01  0.126180D+01  0.849937D+01 -0.597217D+01
      4  -0.106686D+01 -0.607486D+00 -0.516106D+00  0.289774D+01 -0.322577D+01
      5   0.274445D+01 -0.458846D+00  0.653440D-01 -0.242398D+01  0.858676D+00
      6   0.146893D+01  0.491559D+01 -0.152613D+01  0.263340D+01 -0.580025D+01
               156           157           158           159           160 
      1   0.978643D+01  0.478482D+01 -0.916083D+01 -0.998908D+01  0.576785D+01
      2   0.234093D+01  0.124186D+01  0.210031D+01 -0.419120D+01  0.152583D+01
      3  -0.121274D+02 -0.602668D+01  0.706051D+01  0.141803D+02 -0.729368D+01
      4  -0.313741D+01 -0.346464D+01  0.646346D+01  0.396418D+01 -0.318662D+01
      5   0.324432D+01  0.212457D+01 -0.740992D+00  0.354075D+01  0.553073D+01
      6  -0.276130D+01 -0.429784D+01  0.824640D+01  0.539604D+01 -0.327259D+01
               161           162           163           164           165 
      1  -0.597997D+01 -0.978486D+01  0.169938D+02 -0.148920D+01  0.362184D+01
      2  -0.230289D+01 -0.650331D+01 -0.184158D+02  0.300428D+01 -0.159875D+02
      3   0.828285D+01  0.162882D+02  0.142192D+01 -0.151509D+01  0.123657D+02
      4   0.288816D+01  0.336724D+01 -0.130225D+02  0.972274D+01 -0.999611D+01
      5  -0.519623D+00  0.171637D+01  0.335684D+02 -0.100712D+02  0.320298D+02
      6   0.601307D+01  0.428323D+01 -0.804226D+01  0.733826D+01 -0.970807D+01
               166           167           168           169           170 
      1  -0.743138D+00 -0.164784D+01  0.111614D+01  0.428776D+01  0.977470D+00
      2   0.155769D+01  0.402356D+00  0.446140D+00 -0.129734D+02  0.171498D+01
      3  -0.814556D+00  0.124548D+01 -0.156228D+01  0.868560D+01 -0.269245D+01
      4   0.683868D+01 -0.549606D+01  0.671654D+01 -0.804835D+01  0.619017D+01
      5  -0.548254D+01  0.677520D+01 -0.530657D+01  0.251959D+02 -0.807953D+01
      6   0.463344D+01 -0.556177D+01  0.749078D+01 -0.733780D+01  0.738970D+01
               171           172           173           174           175 
      1  -0.251255D+01  0.169474D+02 -0.162810D+01 -0.963218D+01  0.598973D+01
      2  -0.170813D+02 -0.123420D+02  0.606853D+00  0.106732D+02 -0.429293D+01
      3   0.195939D+02 -0.460535D+01  0.102125D+01 -0.104106D+01 -0.169679D+01
      4  -0.831046D+01 -0.510497D+01  0.324587D+01  0.583622D+00  0.102727D+01
      5   0.295764D+02 -0.143867D+02 -0.165467D+01  0.195870D+02 -0.713632D+01
      6  -0.103292D+02  0.252358D+01 -0.881794D-01 -0.531287D+01  0.337803D+00
               176           177           178           179           180 
      1  -0.179710D+01 -0.501151D+01 -0.147530D+02 -0.277941D+01  0.100905D+02
      2   0.183627D+00  0.743236D+01  0.150367D+02  0.525541D+01 -0.245677D+02
      3   0.161347D+01 -0.242085D+01 -0.283637D+00 -0.247600D+01  0.144772D+02
      4   0.385750D+01 -0.461459D+01  0.415282D+01 -0.892613D+01 -0.344193D+01
      5  -0.492016D+01  0.100469D+02  0.274352D+02  0.228677D+00 -0.463950D+02
      6  -0.494507D+00  0.162949D+01 -0.740906D+01  0.490638D+01  0.144283D+02
               181           182           183           184           185 
      1  -0.682323D+01 -0.186092D+02 -0.210188D+01 -0.140222D+02 -0.330586D+02
      2   0.704823D+01  0.204902D+02  0.230284D+01  0.970667D+01  0.453838D+02
      3  -0.224999D+00 -0.188099D+01 -0.200962D+00  0.431551D+01 -0.123252D+02
      4   0.204459D+00 -0.810473D+01 -0.352972D+01  0.541472D+01 -0.310086D+02
      5   0.271430D+01 -0.210606D+01 -0.970841D+00  0.930597D+00 -0.351688D+01
      6   0.784971D+00  0.592986D+01  0.422516D+01  0.211829D+01  0.124733D+02
               186           187           188           189           190 
      1  -0.675243D+01  0.260506D+00 -0.668082D+01 -0.311502D+01  0.647064D+02
      2   0.607568D+01  0.121343D+01  0.502682D+01  0.228668D+01 -0.269987D+02
      3   0.676752D+00 -0.147393D+01  0.165400D+01  0.828333D+00 -0.377077D+02
      4  -0.446883D+01 -0.207791D+01 -0.225155D+01 -0.368428D+01 -0.383644D+02
      5  -0.488277D+01  0.342969D+01 -0.374778D+01 -0.460050D+01  0.155227D+02
      6   0.881098D+01  0.562672D+00  0.798974D+01  0.418104D+01 -0.703453D+01
               191           192           193           194           195 
      1  -0.185127D+02  0.157826D+02 -0.109886D+02  0.482657D+01 -0.404634D+01
      2   0.392581D+01 -0.550422D+01  0.644999D+00  0.405608D+01  0.380073D+00
      3   0.145869D+02 -0.102784D+02  0.103436D+02 -0.888266D+01  0.366626D+01
      4   0.217920D+02 -0.100862D+02  0.178502D+02 -0.147651D+02  0.625029D+01
      5  -0.574276D+01  0.160932D+02 -0.445936D+01  0.451930D+01 -0.211492D+01
      6   0.359417D+01 -0.704933D+01  0.338848D+01 -0.154104D+01  0.325805D+01
               196           197           198           199           200 
      1   0.305729D+02 -0.930602D+01  0.134013D+02  0.107530D+01  0.189380D+00
      2  -0.116308D+02  0.885971D+00 -0.838730D+01 -0.144876D+01  0.220115D+00
      3  -0.189421D+02  0.842005D+01 -0.501402D+01  0.373464D+00 -0.409494D+00
      4  -0.219091D+02  0.160243D+02 -0.921908D+01  0.108569D+01  0.267869D+01
      5   0.189174D+02 -0.621615D+01  0.131874D+02  0.509229D+00  0.148047D+01
      6  -0.809746D+01  0.428671D+01 -0.655501D+01  0.259224D+01  0.552915D+00
               201           202           203           204           205 
      1   0.796138D+00  0.485886D+01 -0.172945D+02 -0.770143D+01  0.191249D+01
      2  -0.533065D+00 -0.303191D+01  0.160085D+02  0.326034D+01 -0.342260D+01
      3  -0.263073D+00 -0.182696D+01  0.128596D+01  0.444110D+01  0.151011D+01
      4   0.105381D+01  0.209051D+01  0.506088D+01  0.185391D+01  0.179642D+01
      5   0.164687D+01  0.120590D+01  0.265154D+01  0.231864D+01  0.192328D+01
      6   0.754679D+00 -0.609261D+00  0.114548D+02  0.743185D+01  0.206398D+01
               206           207           208           209           210 
      1  -0.530311D+01 -0.249497D+01  0.125026D+01 -0.414425D+01 -0.150420D+01
      2   0.247549D+01  0.131672D+01  0.108773D+01  0.248583D+01  0.703206D+00
      3   0.282763D+01  0.117825D+01 -0.233800D+01  0.165842D+01  0.800996D+00
      4   0.579952D+00  0.130920D+01 -0.363884D+01  0.357707D+01  0.137367D+01
      5   0.204523D+01  0.100427D+01 -0.212850D+01  0.102795D+01  0.648742D+00
      6   0.523606D+01  0.409905D+01  0.750532D+00 -0.100998D+01 -0.713247D-01
               211           212           213           214           215 
      1  -0.361023D+01 -0.144855D+02 -0.216568D+01 -0.281630D+01 -0.238943D+01
      2   0.671529D+00  0.208842D+02  0.260146D+01 -0.388683D+00  0.378785D+01
      3   0.293870D+01 -0.639871D+01 -0.435781D+00  0.320498D+01 -0.139841D+01
      4   0.590679D+01 -0.171908D+02 -0.330745D+01  0.368157D+01 -0.460962D+01
      5   0.168255D+01 -0.252464D+01 -0.233909D+01 -0.204887D+01 -0.151501D+01
      6  -0.117979D+01  0.127388D+01  0.401904D+01  0.203747D+01  0.236450D+01
               216           217           218           219           220 
      1  -0.287924D+01  0.156690D+02 -0.595572D+01  0.588133D+01 -0.202043D+02
      2   0.227013D+01 -0.536770D+01  0.109648D+01 -0.224467D+01  0.486781D+01
      3   0.609106D+00 -0.103013D+02  0.485924D+01 -0.363666D+01  0.153365D+02
      4  -0.214122D+01 -0.724185D+01  0.100082D+02 -0.640165D+01  0.297784D+02
      5  -0.103126D+01  0.668398D+01 -0.571998D+01  0.414568D+01 -0.555586D+01
      6   0.154219D+01 -0.296166D+01  0.908778D+00 -0.478643D+00  0.299789D+01
               221           222           223           224           225 
      1   0.851715D+01 -0.649483D+00  0.190042D+02 -0.644417D+01  0.107018D+01
      2   0.106482D+02 -0.475195D+01 -0.697548D+01 -0.348105D+01 -0.555193D-01
      3  -0.191654D+02  0.540144D+01 -0.120287D+02  0.992522D+01 -0.101466D+01
      4  -0.512897D+02  0.151053D+02 -0.175412D+02  0.264425D+02 -0.187507D+02
      5   0.163181D+02 -0.198036D+02  0.122002D+02 -0.200749D+02  0.165717D+02
      6  -0.711952D+01  0.745610D+01 -0.440352D+01  0.922265D+01 -0.656660D+01
               226           227           228           229           230 
      1   0.854245D+00 -0.540659D+00 -0.851001D+01 -0.716169D+01 -0.100804D+01
      2  -0.144151D+01 -0.325812D-01  0.211075D+01  0.336144D+01  0.168782D+01
      3   0.587261D+00  0.573241D+00  0.639925D+01  0.380025D+01 -0.679777D+00
      4   0.328364D+01 -0.173551D+01 -0.233653D+01  0.115958D+02 -0.192325D+02
      5  -0.205209D+01 -0.300818D+01 -0.306991D+01  0.290093D+01 -0.115488D+02
      6   0.174047D+01  0.234672D+01  0.226010D+01 -0.146224D+01  0.729989D+01
               231           232           233           234           235 
      1  -0.583198D+01 -0.188304D+02 -0.578669D+01 -0.125548D+02  0.990169D+02
      2   0.136328D+01  0.125722D+02 -0.192388D+00 -0.892575D+01 -0.530038D+02
      3   0.446870D+01  0.625826D+01  0.597908D+01  0.214806D+02 -0.460131D+02
      4  -0.116786D+02  0.711146D+01 -0.155050D+02 -0.203243D+02  0.159112D+02
      5  -0.179992D+02  0.156653D+02 -0.219158D+02 -0.512288D+02 -0.122502D+02
      6   0.103206D+02 -0.375268D+01  0.122110D+02  0.169083D+02 -0.264922D+01
               236           237           238           239           240 
      1   0.202119D+02 -0.695688D+01  0.468600D+02  0.166219D+02 -0.492354D+01
      2  -0.120493D+02  0.514769D+01 -0.253979D+02 -0.754489D+01  0.293234D+01
      3  -0.816265D+01  0.180919D+01 -0.214621D+02 -0.907703D+01  0.199121D+01
      4   0.160724D+02 -0.254745D+01  0.195134D+02  0.141629D+02 -0.103695D+01
      5  -0.362876D+01  0.141770D+02 -0.761255D+01 -0.163805D+01  0.702399D+01
      6  -0.170092D+01 -0.352718D-01 -0.250631D+01 -0.236318D+01  0.201914D+01
               241           242           243 
      1  -0.235470D+01 -0.224269D+01  0.843658D+01
      2   0.264547D+01  0.807838D+00 -0.610250D+01
      3  -0.290769D+00  0.143485D+01 -0.233408D+01
      4  -0.203049D+01  0.675674D+00  0.961491D+00
      5   0.137226D+02  0.143073D+01 -0.538368D+01
      6   0.486284D+00  0.254350D+01  0.431434D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124577D+01      0.316643D+01      0.105621D+02
   x          0.753203D+00      0.191445D+01      0.638592D+01
   y          0.976112D+00      0.248103D+01      0.827583D+01
   z          0.178418D+00      0.453492D+00      0.151269D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.123244D+03      0.182628D+02      0.203201D+02
   aniso      0.550687D+02      0.816033D+01      0.907960D+01
   xx         0.157753D+03      0.233766D+02      0.260100D+02
   yx        -0.327875D+01     -0.485861D+00     -0.540593D+00
   yy         0.114652D+03      0.169897D+02      0.189036D+02
   zx        -0.516232D+01     -0.764976D+00     -0.851151D+00
   zy         0.228517D+01      0.338627D+00      0.376773D+00
   zz         0.973254D+02      0.144221D+02      0.160468D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130517D+03      0.193406D+02      0.215193D+02
   aniso      0.599285D+02      0.888048D+01      0.988087D+01
   xx         0.168366D+03      0.249492D+02      0.277598D+02
   yx        -0.332526D+01     -0.492753D+00     -0.548261D+00
   yy         0.120290D+03      0.178251D+02      0.198331D+02
   zx        -0.557493D+01     -0.826120D+00     -0.919182D+00
   zy         0.222879D+01      0.330273D+00      0.367478D+00
   zz         0.102895D+03      0.152475D+02      0.169652D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.84350102         -4.11458160          1.11749627
     6          2.71549977         -2.09377643          1.96139727
     6          1.80939708          0.66985641          1.27982759
     6          0.29059178          1.05229429         -1.03462875
     6         -2.10477951          1.82814416         -1.15084451
     6         -3.44321037          2.11089180         -3.59966085
     8         -2.45468518          1.62065308         -5.61369948
     6          5.38602942         -2.76339846          1.15736277
     6          2.32147388         -1.36270363          4.78012289
     6          0.65938131          0.89181585          3.94881994
     6         -6.13810695          3.04871696         -3.44770045
     1          4.08098051         -0.74157458          5.65623075
     1          1.44784775         -2.78821811          5.98401243
     1          3.50522779          1.84928067          1.14766810
     1         -1.34368010          0.41530459          3.97294713
     1          0.91773251          2.68099268          4.93192395
     1          0.87888355         -4.36234917         -0.93042501
     1         -1.09024428         -3.64229132          1.65438282
     1          1.32059464         -5.92472620          1.98824646
     1          6.73472472         -1.33132072          1.78023032
     1          5.52555110         -2.92249386         -0.89758934
     1          5.96397377         -4.57524878          1.96433571
     1          1.21749486          0.64155198         -2.82249600
     1         -3.14697583          2.28601847          0.55249684
     1         -6.19568552          4.89289195         -2.51772021
     1         -7.27218713          1.76103447         -2.29642332
     1         -6.94542124          3.19235938         -5.33138021

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124577D+01      0.316643D+01      0.105621D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124577D+01      0.316643D+01      0.105621D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.123244D+03      0.182628D+02      0.203201D+02
   aniso      0.550687D+02      0.816033D+01      0.907960D+01
   xx         0.135502D+03      0.200794D+02      0.223413D+02
   yx        -0.203930D+02     -0.302193D+01     -0.336235D+01
   yy         0.107664D+03      0.159541D+02      0.177513D+02
   zx         0.184667D+02      0.273648D+01      0.304475D+01
   zy        -0.720680D+01     -0.106794D+01     -0.118824D+01
   zz         0.126565D+03      0.187550D+02      0.208677D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130517D+03      0.193406D+02      0.215193D+02
   aniso      0.599285D+02      0.888048D+01      0.988087D+01
   xx         0.143755D+03      0.213023D+02      0.237020D+02
   yx        -0.217360D+02     -0.322094D+01     -0.358378D+01
   yy         0.113905D+03      0.168790D+02      0.187804D+02
   zx         0.206463D+02      0.305947D+01      0.340412D+01
   zy        -0.819288D+01     -0.121406D+01     -0.135082D+01
   zz         0.133891D+03      0.198407D+02      0.220757D+02

 ----------------------------------------------------------------------
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 Some scientists claim that hydrogen, because it is so
 plentiful, is the basic building block of the universe. 
 I dispute that. I say that stupidity is far more
 abundant than hydrogen, and THAT is the basic building 
 block of the universe.
                   --Frank Zappa
 Job cpu time:       0 days 15 hours 43 minutes 45.3 seconds.
 Elapsed time:       0 days  1 hours 58 minutes  2.2 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 00:10:22 2021.
